2,4,4-trimethyl-N-propyloctan-2-amine

C14H31N — CID 166814463

IUPAC2,4,4-trimethyl-N-propyloctan-2-amine
SMILESCCCCC(C)(C)CC(C)(C)NCCC
InChIInChI=1S/C14H31N/c1-7-9-10-13(3,4)12-14(5,6)15-11-8-2/h15H,7-12H2,1-6H3
InChIKeyYAFZBJAEXJQWAV-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.37
Rot. Bonds8

About 2,4,4-trimethyl-N-propyloctan-2-amine

2,4,4-trimethyl-N-propyloctan-2-amine (PubChem CID 166814463) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-propyloctan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-propyloctan-2-amine
PubChem CID166814463
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name2,4,4-trimethyl-N-propyloctan-2-amine
SMILESCCCCC(C)(C)CC(C)(C)NCCC
InChIInChI=1S/C14H31N/c1-7-9-10-13(3,4)12-14(5,6)15-11-8-2/h15H,7-12H2,1-6H3
InChIKeyYAFZBJAEXJQWAV-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4,4-trimethyl-N-propyloctan-2-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

N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-ethyl-2-methyloctan-2-amine
CID 123477104
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
16,16,21,21-tetramethylhexatriacontane
CID 174880889
N-heptyl-5-methylnonan-5-amine
CID 126560493
2,4,4-trimethyldodecan-2-amine
CID 88894727
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
N,3,3-trimethyldecan-1-amine
CID 81022297
N,3,3-trimethylpentadecan-1-amine
CID 81023479
4-iodo-2-methyl-N-pentylbutan-2-amine
CID 130471180

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-propyloctan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-propyloctan-2-amine (CID 166814463) is 2,4,4-trimethyl-N-propyloctan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-propyloctan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-propyloctan-2-amine is CCCCC(C)(C)CC(C)(C)NCCC.
What is the InChIKey of 2,4,4-trimethyl-N-propyloctan-2-amine?
The InChIKey is YAFZBJAEXJQWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-7-9-10-13(3,4)12-14(5,6)15-11-8-2/h15H,7-12H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-N-propyloctan-2-amine?
2,4,4-trimethyl-N-propyloctan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-propyloctan-2-amine is sourced from PubChem (CID 166814463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).