N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine

C100H243N27O16 — CID 159232576

IUPACN'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine
SMILESCC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.CC(O)CN(CCN(CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O.NCCCCCCCCCCCN.NCCCCCNCCCCCNCCN.NCCCCCNCCN.NCCN(CCN)CCN.NCCNCCCCCNCCN.OCCN(CCO)CCN(CCO)CCN(CCO)CCN(CCO)CCN(CCO)CCO
InChIInChI=1S/C22H51N5O7.C19H43N3O5.C14H32N2O4.C12H30N4.C11H26N2.C9H24N4.C7H19N3.C6H18N4/c28-16-9-23(1-3-24(10-17-29)5-7-26(12-19-31)13-20-32)2-4-25(11-18-30)6-8-27(14-21-33)15-22-34;1-15(23)10-20(6-8-21(11-16(2)24)12-17(3)25)7-9-22(13-18(4)26)14-19(5)27;1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20;13-7-3-1-4-9-15-10-5-2-6-11-16-12-8-14;12-10-8-6-4-2-1-3-5-7-9-11-13;10-4-8-12-6-2-1-3-7-13-9-5-11;8-4-2-1-3-6-10-7-5-9;7-1-4-10(5-2-8)6-3-9/h28-34H,1-22H2;15-19,23-27H,6-14H2,1-5H3;11-14,17-20H,5-10H2,1-4H3;15-16H,1-14H2;1-13H2;12-13H,1-11H2;10H,1-9H2;1-9H2
InChIKeyKTBYIVLXJMVFAI-UHFFFAOYSA-N
MW2080.22 g/mol
LogP-6.73
Rot. Bonds99

About N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine

N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine (PubChem CID 159232576) has the molecular formula C100H243N27O16 and a molecular weight of 2080.22 g/mol. Its IUPAC name is N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine.

Molecular Properties

Compound NameN'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine
PubChem CID159232576
Molecular FormulaC100H243N27O16
Molecular Weight2080.22 g/mol
Exact Mass2078.90
IUPAC NameN'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine
SMILESCC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.CC(O)CN(CCN(CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O.NCCCCCCCCCCCN.NCCCCCNCCCCCNCCN.NCCCCCNCCN.NCCN(CCN)CCN.NCCNCCCCCNCCN.OCCN(CCO)CCN(CCO)CCN(CCO)CCN(CCO)CCN(CCO)CCO
InChIInChI=1S/C22H51N5O7.C19H43N3O5.C14H32N2O4.C12H30N4.C11H26N2.C9H24N4.C7H19N3.C6H18N4/c28-16-9-23(1-3-24(10-17-29)5-7-26(12-19-31)13-20-32)2-4-25(11-18-30)6-8-27(14-21-33)15-22-34;1-15(23)10-20(6-8-21(11-16(2)24)12-17(3)25)7-9-22(13-18(4)26)14-19(5)27;1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20;13-7-3-1-4-9-15-10-5-2-6-11-16-12-8-14;12-10-8-6-4-2-1-3-5-7-9-11-13;10-4-8-12-6-2-1-3-7-13-9-5-11;8-4-2-1-3-6-10-7-5-9;7-1-4-10(5-2-8)6-3-9/h28-34H,1-22H2;15-19,23-27H,6-14H2,1-5H3;11-14,17-20H,5-10H2,1-4H3;15-16H,1-14H2;1-13H2;12-13H,1-11H2;10H,1-9H2;1-9H2
InChIKeyKTBYIVLXJMVFAI-UHFFFAOYSA-N
XLogP-6.73
TPSA705.69 Ų
H-Bond Donors32
H-Bond Acceptors43
Rotatable Bonds99
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002080.22
LogP ≤ 5-6.73
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine?
The IUPAC name of N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine (CID 159232576) is N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine.
What is the SMILES notation for N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine?
The canonical SMILES for N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine is CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.CC(O)CN(CCN(CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O.NCCCCCCCCCCCN.NCCCCCNCCCCCNCCN.NCCCCCNCCN.NCCN(CCN)CCN.NCCNCCCCCNCCN.OCCN(CCO)CCN(CCO)CCN(CCO)CCN(CCO)CCN(CCO)CCO.
What is the InChIKey of N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine?
The InChIKey is KTBYIVLXJMVFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H51N5O7.C19H43N3O5.C14H32N2O4.C12H30N4.C11H26N2.C9H24N4.C7H19N3.C6H18N4/c28-16-9-23(1-3-24(10-17-29)5-7-26(12-19-31)13-20-32)2-4-25(11-18-30)6-8-27(14-21-33)15-22-34;1-15(23)10-20(6-8-21(11-16(2)24)12-17(3)25)7-9-22(13-18(4)26)14-19(5)27;1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20;13-7-3-1-4-9-15-10-5-2-6-11-16-12-8-14;12-10-8-6-4-2-1-3-5-7-9-11-13;10-4-8-12-6-2-1-3-7-13-9-5-11;8-4-2-1-3-6-10-7-5-9;7-1-4-10(5-2-8)6-3-9/h28-34H,1-22H2;15-19,23-27H,6-14H2,1-5H3;11-14,17-20H,5-10H2,1-4H3;15-16H,1-14H2;1-13H2;12-13H,1-11H2;10H,1-9H2;1-9H2.
What are the key properties of N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine?
N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine has a molecular weight of 2080.22 g/mol, XLogP of -6.73, 99 rotatable bonds, 32 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N'-bis(2-aminoethyl)pentane-1,5-diamine;2-[bis[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]amino]ethanol;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;undecane-1,11-diamine is sourced from PubChem (CID 159232576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).