3-ethyl-N,2-dimethylpentan-3-amine

C9H21N — CID 59190054

IUPAC3-ethyl-N,2-dimethylpentan-3-amine
SMILESCCC(CC)(NC)C(C)C
InChIInChI=1S/C9H21N/c1-6-9(7-2,10-5)8(3)4/h8,10H,6-7H2,1-5H3
InChIKeyYULPEFVSJMWKTH-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.42
Rot. Bonds4

About 3-ethyl-N,2-dimethylpentan-3-amine

3-ethyl-N,2-dimethylpentan-3-amine (PubChem CID 59190054) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 3-ethyl-N,2-dimethylpentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N,2-dimethylpentan-3-amine
PubChem CID59190054
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name3-ethyl-N,2-dimethylpentan-3-amine
SMILESCCC(CC)(NC)C(C)C
InChIInChI=1S/C9H21N/c1-6-9(7-2,10-5)8(3)4/h8,10H,6-7H2,1-5H3
InChIKeyYULPEFVSJMWKTH-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-N,2-dimethylpentan-3-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 3-ethyl-N,2-dimethylpentan-3-amine?
The IUPAC name of 3-ethyl-N,2-dimethylpentan-3-amine (CID 59190054) is 3-ethyl-N,2-dimethylpentan-3-amine.
What is the SMILES notation for 3-ethyl-N,2-dimethylpentan-3-amine?
The canonical SMILES for 3-ethyl-N,2-dimethylpentan-3-amine is CCC(CC)(NC)C(C)C.
What is the InChIKey of 3-ethyl-N,2-dimethylpentan-3-amine?
The InChIKey is YULPEFVSJMWKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-6-9(7-2,10-5)8(3)4/h8,10H,6-7H2,1-5H3.
What are the key properties of 3-ethyl-N,2-dimethylpentan-3-amine?
3-ethyl-N,2-dimethylpentan-3-amine has a molecular weight of 143.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,2-dimethylpentan-3-amine is sourced from PubChem (CID 59190054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).