N,4-dimethylpentan-2-amine

C7H17N — CID 16777019

IUPACN,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)C
InChIInChI=1S/C7H17N/c1-6(2)5-7(3)8-4/h6-8H,5H2,1-4H3
InChIKeyOJFLJUCXLKCIHU-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.64
Rot. Bonds3

About N,4-dimethylpentan-2-amine

N,4-dimethylpentan-2-amine (PubChem CID 16777019) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is N,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN,4-dimethylpentan-2-amine
PubChem CID16777019
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC NameN,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)C
InChIInChI=1S/C7H17N/c1-6(2)5-7(3)8-4/h6-8H,5H2,1-4H3
InChIKeyOJFLJUCXLKCIHU-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 N,4-dimethylpentan-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

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylpentan-2-amine?
The IUPAC name of N,4-dimethylpentan-2-amine (CID 16777019) is N,4-dimethylpentan-2-amine.
What is the SMILES notation for N,4-dimethylpentan-2-amine?
The canonical SMILES for N,4-dimethylpentan-2-amine is CNC(C)CC(C)C.
What is the InChIKey of N,4-dimethylpentan-2-amine?
The InChIKey is OJFLJUCXLKCIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-6(2)5-7(3)8-4/h6-8H,5H2,1-4H3.
What are the key properties of N,4-dimethylpentan-2-amine?
N,4-dimethylpentan-2-amine has a molecular weight of 115.22 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylpentan-2-amine is sourced from PubChem (CID 16777019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).