(2S)-N,2-dimethylpentan-1-amine

C7H17N — CID 28608138

IUPAC(2S)-N,2-dimethylpentan-1-amine
SMILESCCC[C@H](C)CNC
InChIInChI=1S/C7H17N/c1-4-5-7(2)6-8-3/h7-8H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyWPXMLBDVHIFOPP-ZETCQYMHSA-N
MW115.22 g/mol
LogP1.64
Rot. Bonds4

About (2S)-N,2-dimethylpentan-1-amine

(2S)-N,2-dimethylpentan-1-amine (PubChem CID 28608138) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is (2S)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name(2S)-N,2-dimethylpentan-1-amine
PubChem CID28608138
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Name(2S)-N,2-dimethylpentan-1-amine
SMILESCCC[C@H](C)CNC
InChIInChI=1S/C7H17N/c1-4-5-7(2)6-8-3/h7-8H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyWPXMLBDVHIFOPP-ZETCQYMHSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-N,2-dimethylpentan-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

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethylpentan-1-amine?
The IUPAC name of (2S)-N,2-dimethylpentan-1-amine (CID 28608138) is (2S)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for (2S)-N,2-dimethylpentan-1-amine?
The canonical SMILES for (2S)-N,2-dimethylpentan-1-amine is CCC[C@H](C)CNC.
What is the InChIKey of (2S)-N,2-dimethylpentan-1-amine?
The InChIKey is WPXMLBDVHIFOPP-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17N/c1-4-5-7(2)6-8-3/h7-8H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-N,2-dimethylpentan-1-amine?
(2S)-N,2-dimethylpentan-1-amine has a molecular weight of 115.22 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 28608138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).