2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine

C14H31N — CID 43731065

IUPAC2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine
SMILESCCCC(C)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H31N/c1-8-9-12(2)10-15-14(6,7)11-13(3,4)5/h12,15H,8-11H2,1-7H3
InChIKeyJIOAFRZKTOSQPG-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.23
Rot. Bonds6

About 2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine

2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine (PubChem CID 43731065) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine
PubChem CID43731065
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine
SMILESCCCC(C)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H31N/c1-8-9-12(2)10-15-14(6,7)11-13(3,4)5/h12,15H,8-11H2,1-7H3
InChIKeyJIOAFRZKTOSQPG-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4,4-trimethyl-N-(2-methylpentyl)pentan-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-tert-butyl-2-methylpentan-1-amine
CID 43200440
N-(1-methoxy-2-methylpropan-2-yl)-2-methylpentan-1-amine
CID 115906085
2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
CID 103922999
2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol
CID 97358418
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
CID 91419201
1-(2,4,4-trimethylpentan-2-ylamino)butan-1-ol
CID 154119880
(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
CID 79257058
(4R,6S)-2,2,4,6-tetramethyl-4-propylnonane
CID 58193630
N-hexan-2-yl-2,4,4-trimethylpentan-2-amine
CID 43788200
N-tert-butyl-2,5,5-trimethylhexan-1-amine
CID 62529296

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine (CID 43731065) is 2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine is CCCC(C)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine?
The InChIKey is JIOAFRZKTOSQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-8-9-12(2)10-15-14(6,7)11-13(3,4)5/h12,15H,8-11H2,1-7H3.
What are the key properties of 2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine?
2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.23, 6 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-(2-methylpentyl)pentan-2-amine is sourced from PubChem (CID 43731065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).