2,2-dimethylpentan-3-amine

C7H17N — CID 13247954

IUPAC2,2-dimethylpentan-3-amine
SMILESCCC(N)C(C)(C)C
InChIInChI=1S/C7H17N/c1-5-6(8)7(2,3)4/h6H,5,8H2,1-4H3
InChIKeyPCQKMDBZOIYAKY-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.77
Rot. Bonds1

About 2,2-dimethylpentan-3-amine

2,2-dimethylpentan-3-amine (PubChem CID 13247954) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is 2,2-dimethylpentan-3-amine.

Molecular Properties

Compound Name2,2-dimethylpentan-3-amine
PubChem CID13247954
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Name2,2-dimethylpentan-3-amine
SMILESCCC(N)C(C)(C)C
InChIInChI=1S/C7H17N/c1-5-6(8)7(2,3)4/h6H,5,8H2,1-4H3
InChIKeyPCQKMDBZOIYAKY-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-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 2,2-dimethylpentan-3-amine?
The IUPAC name of 2,2-dimethylpentan-3-amine (CID 13247954) is 2,2-dimethylpentan-3-amine.
What is the SMILES notation for 2,2-dimethylpentan-3-amine?
The canonical SMILES for 2,2-dimethylpentan-3-amine is CCC(N)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpentan-3-amine?
The InChIKey is PCQKMDBZOIYAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-5-6(8)7(2,3)4/h6H,5,8H2,1-4H3.
What are the key properties of 2,2-dimethylpentan-3-amine?
2,2-dimethylpentan-3-amine has a molecular weight of 115.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentan-3-amine is sourced from PubChem (CID 13247954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).