2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine

C122H245Cl34N19 — CID 161429020

IUPAC2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine
SMILESClCCCCCCl.ClCCCN(CCCCl)CCCCN(CCCCl)CCCCl.ClCCCN(CCCCl)CCCCl.ClCCCN(CCCCl)CCCN(CCCCN(CCCN(CCCCl)CCCCl)CCCN(CCCCl)CCCCl)CCCN(CCCCl)CCCCl.ClCCCNCCCCl.ClCCN(CCCl)CCCCN(CCCl)CCCl.ClCCN(CCCl)CCCl.ClCCN(CCCl)CCN(CCCCN(CCN(CCCl)CCCl)CCN(CCCl)CCCl)CCN(CCCl)CCCl
InChIInChI=1S/C40H80Cl8N6.C28H56Cl8N6.C16H32Cl4N2.C12H24Cl4N2.C9H18Cl3N.C6H12Cl3N.C6H13Cl2N.C5H10Cl2/c41-15-3-25-51(26-4-16-42)37-11-33-49(34-12-38-52(27-5-17-43)28-6-18-44)23-1-2-24-50(35-13-39-53(29-7-19-45)30-8-20-46)36-14-40-54(31-9-21-47)32-10-22-48;29-3-13-39(14-4-30)25-21-37(22-26-40(15-5-31)16-6-32)11-1-2-12-38(23-27-41(17-7-33)18-8-34)24-28-42(19-9-35)20-10-36;17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20;13-3-9-17(10-4-14)7-1-2-8-18(11-5-15)12-6-16;10-4-1-7-13(8-2-5-11)9-3-6-12;7-1-4-10(5-2-8)6-3-9;7-3-1-5-9-6-2-4-8;6-4-2-1-3-5-7/h1-40H2;1-28H2;1-16H2;1-12H2;1-9H2;1-6H2;9H,1-6H2;1-5H2
InChIKeyVXTJSVFKBUFHLA-UHFFFAOYSA-N
MW3183.84 g/mol
LogP33.52
Rot. Bonds133

About 2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine

2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine (PubChem CID 161429020) has the molecular formula C122H245Cl34N19 and a molecular weight of 3183.84 g/mol. Its IUPAC name is 2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine
PubChem CID161429020
Molecular FormulaC122H245Cl34N19
Molecular Weight3183.84 g/mol
Exact Mass3165.92
IUPAC Name2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine
SMILESClCCCCCCl.ClCCCN(CCCCl)CCCCN(CCCCl)CCCCl.ClCCCN(CCCCl)CCCCl.ClCCCN(CCCCl)CCCN(CCCCN(CCCN(CCCCl)CCCCl)CCCN(CCCCl)CCCCl)CCCN(CCCCl)CCCCl.ClCCCNCCCCl.ClCCN(CCCl)CCCCN(CCCl)CCCl.ClCCN(CCCl)CCCl.ClCCN(CCCl)CCN(CCCCN(CCN(CCCl)CCCl)CCN(CCCl)CCCl)CCN(CCCl)CCCl
InChIInChI=1S/C40H80Cl8N6.C28H56Cl8N6.C16H32Cl4N2.C12H24Cl4N2.C9H18Cl3N.C6H12Cl3N.C6H13Cl2N.C5H10Cl2/c41-15-3-25-51(26-4-16-42)37-11-33-49(34-12-38-52(27-5-17-43)28-6-18-44)23-1-2-24-50(35-13-39-53(29-7-19-45)30-8-20-46)36-14-40-54(31-9-21-47)32-10-22-48;29-3-13-39(14-4-30)25-21-37(22-26-40(15-5-31)16-6-32)11-1-2-12-38(23-27-41(17-7-33)18-8-34)24-28-42(19-9-35)20-10-36;17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20;13-3-9-17(10-4-14)7-1-2-8-18(11-5-15)12-6-16;10-4-1-7-13(8-2-5-11)9-3-6-12;7-1-4-10(5-2-8)6-3-9;7-3-1-5-9-6-2-4-8;6-4-2-1-3-5-7/h1-40H2;1-28H2;1-16H2;1-12H2;1-9H2;1-6H2;9H,1-6H2;1-5H2
InChIKeyVXTJSVFKBUFHLA-UHFFFAOYSA-N
XLogP33.52
TPSA70.35 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds133
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003183.84
LogP ≤ 533.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine with MolForge

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Related Compounds

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CID 170325577
N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine
CID 58300630
N,N,N',N'-tetrakis[3-[bis[3-(dodecylamino)propyl]amino]propyl]butane-1,4-diamine
CID 102324687
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N-butyl-N-(2-chloroethyl)heptan-1-amine
CID 63389515
N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102996112
N-(7-aminoheptyl)-N'-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]-N'-[3-[bis(7-aminoheptyl)amino]propyl]undecane-1,11-diamine
CID 58309879
N-(4-chlorobutyl)-N-(2-chloroethyl)-3-methylbutan-1-amine
CID 3062538
N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine
CID 3022030
2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol
CID 168932712
N-(2-chloroethyl)-N-propyloctan-1-amine
CID 63387003
5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine
CID 61418354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine?
The IUPAC name of 2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine (CID 161429020) is 2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine.
What is the SMILES notation for 2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine?
The canonical SMILES for 2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine is ClCCCCCCl.ClCCCN(CCCCl)CCCCN(CCCCl)CCCCl.ClCCCN(CCCCl)CCCCl.ClCCCN(CCCCl)CCCN(CCCCN(CCCN(CCCCl)CCCCl)CCCN(CCCCl)CCCCl)CCCN(CCCCl)CCCCl.ClCCCNCCCCl.ClCCN(CCCl)CCCCN(CCCl)CCCl.ClCCN(CCCl)CCCl.ClCCN(CCCl)CCN(CCCCN(CCN(CCCl)CCCl)CCN(CCCl)CCCl)CCN(CCCl)CCCl.
What is the InChIKey of 2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine?
The InChIKey is VXTJSVFKBUFHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H80Cl8N6.C28H56Cl8N6.C16H32Cl4N2.C12H24Cl4N2.C9H18Cl3N.C6H12Cl3N.C6H13Cl2N.C5H10Cl2/c41-15-3-25-51(26-4-16-42)37-11-33-49(34-12-38-52(27-5-17-43)28-6-18-44)23-1-2-24-50(35-13-39-53(29-7-19-45)30-8-20-46)36-14-40-54(31-9-21-47)32-10-22-48;29-3-13-39(14-4-30)25-21-37(22-26-40(15-5-31)16-6-32)11-1-2-12-38(23-27-41(17-7-33)18-8-34)24-28-42(19-9-35)20-10-36;17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20;13-3-9-17(10-4-14)7-1-2-8-18(11-5-15)12-6-16;10-4-1-7-13(8-2-5-11)9-3-6-12;7-1-4-10(5-2-8)6-3-9;7-3-1-5-9-6-2-4-8;6-4-2-1-3-5-7/h1-40H2;1-28H2;1-16H2;1-12H2;1-9H2;1-6H2;9H,1-6H2;1-5H2.
What are the key properties of 2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine?
2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine has a molecular weight of 3183.84 g/mol, XLogP of 33.52, 133 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(2-chloroethyl)ethanamine;3-chloro-N,N-bis(3-chloropropyl)propan-1-amine;3-chloro-N-(3-chloropropyl)propan-1-amine;1,5-dichloropentane;N,N,N',N'-tetrakis[2-[bis(2-chloroethyl)amino]ethyl]butane-1,4-diamine;N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine;N,N,N',N'-tetrakis(2-chloroethyl)butane-1,4-diamine;N,N,N',N'-tetrakis(3-chloropropyl)butane-1,4-diamine is sourced from PubChem (CID 161429020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).