4-ethyl-2,2-dimethylhexan-1-amine

C10H23N — CID 82930453

IUPAC4-ethyl-2,2-dimethylhexan-1-amine
SMILESCCC(CC)CC(C)(C)CN
InChIInChI=1S/C10H23N/c1-5-9(6-2)7-10(3,4)8-11/h9H,5-8,11H2,1-4H3
InChIKeyLESYALMMCYXFOB-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.80
Rot. Bonds5

About 4-ethyl-2,2-dimethylhexan-1-amine

4-ethyl-2,2-dimethylhexan-1-amine (PubChem CID 82930453) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2,2-dimethylhexan-1-amine
PubChem CID82930453
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name4-ethyl-2,2-dimethylhexan-1-amine
SMILESCCC(CC)CC(C)(C)CN
InChIInChI=1S/C10H23N/c1-5-9(6-2)7-10(3,4)8-11/h9H,5-8,11H2,1-4H3
InChIKeyLESYALMMCYXFOB-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-2,2-dimethylhexan-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 4-ethyl-2,2-dimethylhexan-1-amine?
The IUPAC name of 4-ethyl-2,2-dimethylhexan-1-amine (CID 82930453) is 4-ethyl-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 4-ethyl-2,2-dimethylhexan-1-amine?
The canonical SMILES for 4-ethyl-2,2-dimethylhexan-1-amine is CCC(CC)CC(C)(C)CN.
What is the InChIKey of 4-ethyl-2,2-dimethylhexan-1-amine?
The InChIKey is LESYALMMCYXFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-5-9(6-2)7-10(3,4)8-11/h9H,5-8,11H2,1-4H3.
What are the key properties of 4-ethyl-2,2-dimethylhexan-1-amine?
4-ethyl-2,2-dimethylhexan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 82930453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).