1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine

C15H34N2 — CID 62040138

IUPAC1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine
SMILESCCCCN(CC(CC)NCCC)C(C)CC
InChIInChI=1S/C15H34N2/c1-6-10-12-17(14(5)8-3)13-15(9-4)16-11-7-2/h14-16H,6-13H2,1-5H3
InChIKeyKLRHDGMQOPECNE-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.67
Rot. Bonds11

About 1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine

1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine (PubChem CID 62040138) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine
PubChem CID62040138
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine
SMILESCCCCN(CC(CC)NCCC)C(C)CC
InChIInChI=1S/C15H34N2/c1-6-10-12-17(14(5)8-3)13-15(9-4)16-11-7-2/h14-16H,6-13H2,1-5H3
InChIKeyKLRHDGMQOPECNE-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62411413
3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol
CID 64825577
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine
CID 63493785
1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine
CID 64585190
4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine
CID 64708204
N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine
CID 63503379
N'-butan-2-yl-N'-butyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62557619
1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine
CID 62040984
2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine
CID 102401711
1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine
CID 62040333
1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505330

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine (CID 62040138) is 1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine is CCCCN(CC(CC)NCCC)C(C)CC.
What is the InChIKey of 1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine?
The InChIKey is KLRHDGMQOPECNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-6-10-12-17(14(5)8-3)13-15(9-4)16-11-7-2/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine?
1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62040138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).