2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine

C18H39N — CID 82930649

IUPAC2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CC)(CNCC(C)C)CC(CC)CC
InChIInChI=1S/C18H39N/c1-7-11-12-18(10-4,13-17(8-2)9-3)15-19-14-16(5)6/h16-17,19H,7-15H2,1-6H3
InChIKeyVJYGFZVUZXVVHP-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.64
Rot. Bonds12

About 2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine

2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 82930649) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID82930649
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CC)(CNCC(C)C)CC(CC)CC
InChIInChI=1S/C18H39N/c1-7-11-12-18(10-4,13-17(8-2)9-3)15-19-14-16(5)6/h16-17,19H,7-15H2,1-6H3
InChIKeyVJYGFZVUZXVVHP-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine 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-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 55220449
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
CID 63508789
2-ethyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617741
2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62725827
N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine
CID 63509481
6,6-bis(2-ethylbutyl)undecane
CID 174469307
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane
CID 158847825
2,2,4-triethyl-N-methylhexan-1-amine
CID 82930849

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine (CID 82930649) is 2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine is CCCCC(CC)(CNCC(C)C)CC(CC)CC.
What is the InChIKey of 2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is VJYGFZVUZXVVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-7-11-12-18(10-4,13-17(8-2)9-3)15-19-14-16(5)6/h16-17,19H,7-15H2,1-6H3.
What are the key properties of 2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine?
2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 5.64, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 82930649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).