2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine

C17H38N2 — CID 107869478

IUPAC2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
SMILESCCCCCC(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H38N2/c1-6-7-8-9-17(14-18)19(12-10-15(2)3)13-11-16(4)5/h15-17H,6-14,18H2,1-5H3
InChIKeyCKTKJQWYGXESJL-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.29
Rot. Bonds12

About 2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine

2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine (PubChem CID 107869478) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
PubChem CID107869478
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
SMILESCCCCCC(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H38N2/c1-6-7-8-9-17(14-18)19(12-10-15(2)3)13-11-16(4)5/h15-17H,6-14,18H2,1-5H3
InChIKeyCKTKJQWYGXESJL-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,2-N-bis(3-methylbutyl)heptane-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

2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 114011109
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
CID 55011655
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
CID 54987130
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine
CID 82965560
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
CID 63472156

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine (CID 107869478) is 2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine is CCCCCC(CN)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine?
The InChIKey is CKTKJQWYGXESJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-6-7-8-9-17(14-18)19(12-10-15(2)3)13-11-16(4)5/h15-17H,6-14,18H2,1-5H3.
What are the key properties of 2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine?
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.29, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine is sourced from PubChem (CID 107869478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).