5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine

C17H38N2 — CID 79483858

IUPAC5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine
SMILESCCNC(C)CCCCN(CC(C)C)C(CC)CC
InChIInChI=1S/C17H38N2/c1-7-17(8-2)19(14-15(4)5)13-11-10-12-16(6)18-9-3/h15-18H,7-14H2,1-6H3
InChIKeyMJOQFKZFYRJGOJ-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.30
Rot. Bonds12

About 5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine

5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine (PubChem CID 79483858) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine
PubChem CID79483858
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine
SMILESCCNC(C)CCCCN(CC(C)C)C(CC)CC
InChIInChI=1S/C17H38N2/c1-7-17(8-2)19(14-15(4)5)13-11-10-12-16(6)18-9-3/h15-18H,7-14H2,1-6H3
InChIKeyMJOQFKZFYRJGOJ-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-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'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
CID 79492004
2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79483866
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N-ethyl-5-methylhexan-2-amine
CID 24689543
N,N-bis(2-methylpropyl)octan-3-amine
CID 130409635
1-amino-2-methyl-5-[2-methylpropyl(pentan-3-yl)amino]pentan-2-ol
CID 79490065
1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79477138
N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 79490291
2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile
CID 106803848
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
N-ethyl-7,7-dimethyloctan-2-amine
CID 64504249
1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol
CID 79489819

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine?
The IUPAC name of 5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine (CID 79483858) is 5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine.
What is the SMILES notation for 5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine?
The canonical SMILES for 5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine is CCNC(C)CCCCN(CC(C)C)C(CC)CC.
What is the InChIKey of 5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine?
The InChIKey is MJOQFKZFYRJGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-7-17(8-2)19(14-15(4)5)13-11-10-12-16(6)18-9-3/h15-18H,7-14H2,1-6H3.
What are the key properties of 5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine?
5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.30, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine is sourced from PubChem (CID 79483858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).