N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine

C18H42N4 — CID 101082542

IUPACN-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)CNCCN(CCNCC(C)C)CCNCC(C)C
InChIInChI=1S/C18H42N4/c1-16(2)13-19-7-10-22(11-8-20-14-17(3)4)12-9-21-15-18(5)6/h16-21H,7-15H2,1-6H3
InChIKeyMVHJOLSKIZRDEU-UHFFFAOYSA-N
MW314.56 g/mol
LogP2.03
Rot. Bonds15

About N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine

N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine (PubChem CID 101082542) has the molecular formula C18H42N4 and a molecular weight of 314.56 g/mol. Its IUPAC name is N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
PubChem CID101082542
Molecular FormulaC18H42N4
Molecular Weight314.56 g/mol
Exact Mass314.34
IUPAC NameN-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)CNCCN(CCNCC(C)C)CCNCC(C)C
InChIInChI=1S/C18H42N4/c1-16(2)13-19-7-10-22(11-8-20-14-17(3)4)12-9-21-15-18(5)6/h16-21H,7-15H2,1-6H3
InChIKeyMVHJOLSKIZRDEU-UHFFFAOYSA-N
XLogP2.03
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62462476
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N'-(2-aminoethyl)-N'-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(2-methylpropylamino)ethyl]amino]ethyl-chloroamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 146556910
N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 89066515
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 55072636
CID 175939227
CID 175939227
2-methyl-N-propylpropan-1-amine
CID 520943
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62436876
N'-ethyl-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62421595
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine (CID 101082542) is N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine is CC(C)CNCCN(CCNCC(C)C)CCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine?
The InChIKey is MVHJOLSKIZRDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4/c1-16(2)13-19-7-10-22(11-8-20-14-17(3)4)12-9-21-15-18(5)6/h16-21H,7-15H2,1-6H3.
What are the key properties of N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine?
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine has a molecular weight of 314.56 g/mol, XLogP of 2.03, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 101082542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).