(2S)-N,2,4-trimethylpentan-1-amine

C8H19N — CID 90327710

IUPAC(2S)-N,2,4-trimethylpentan-1-amine
SMILESCNC[C@@H](C)CC(C)C
InChIInChI=1S/C8H19N/c1-7(2)5-8(3)6-9-4/h7-9H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyKVLKFVXLVHDQOG-QMMMGPOBSA-N
MW129.25 g/mol
LogP1.89
Rot. Bonds4

About (2S)-N,2,4-trimethylpentan-1-amine

(2S)-N,2,4-trimethylpentan-1-amine (PubChem CID 90327710) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (2S)-N,2,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name(2S)-N,2,4-trimethylpentan-1-amine
PubChem CID90327710
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(2S)-N,2,4-trimethylpentan-1-amine
SMILESCNC[C@@H](C)CC(C)C
InChIInChI=1S/C8H19N/c1-7(2)5-8(3)6-9-4/h7-9H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyKVLKFVXLVHDQOG-QMMMGPOBSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-N,2,4-trimethylpentan-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

ethane;N,2,4-trimethylpentan-1-amine
CID 142844862
(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
CID 155217722
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
N-(2,4-dimethylpentyl)hydroxylamine
CID 130481162
N,2-dimethyl-4-propylheptan-1-amine
CID 142144004
2-iodo-N,4-dimethylpentan-1-amine
CID 155421161
3,5-dimethyl-6-(methylamino)hexan-2-one
CID 169146775
2,4-dimethyl-N-methylsulfanylpentan-1-amine
CID 167247133
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine
CID 83828619

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2,4-trimethylpentan-1-amine?
The IUPAC name of (2S)-N,2,4-trimethylpentan-1-amine (CID 90327710) is (2S)-N,2,4-trimethylpentan-1-amine.
What is the SMILES notation for (2S)-N,2,4-trimethylpentan-1-amine?
The canonical SMILES for (2S)-N,2,4-trimethylpentan-1-amine is CNC[C@@H](C)CC(C)C.
What is the InChIKey of (2S)-N,2,4-trimethylpentan-1-amine?
The InChIKey is KVLKFVXLVHDQOG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19N/c1-7(2)5-8(3)6-9-4/h7-9H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-N,2,4-trimethylpentan-1-amine?
(2S)-N,2,4-trimethylpentan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2,4-trimethylpentan-1-amine is sourced from PubChem (CID 90327710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).