4-(3,3-dimethylazetidin-1-yl)pentan-2-amine

C10H22N2 — CID 127000084

IUPAC4-(3,3-dimethylazetidin-1-yl)pentan-2-amine
SMILESCC(N)CC(C)N1CC(C)(C)C1
InChIInChI=1S/C10H22N2/c1-8(11)5-9(2)12-6-10(3,4)7-12/h8-9H,5-7,11H2,1-4H3
InChIKeyPPPQPHQHNCSULE-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.45
Rot. Bonds3

About 4-(3,3-dimethylazetidin-1-yl)pentan-2-amine

4-(3,3-dimethylazetidin-1-yl)pentan-2-amine (PubChem CID 127000084) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-(3,3-dimethylazetidin-1-yl)pentan-2-amine.

Molecular Properties

Compound Name4-(3,3-dimethylazetidin-1-yl)pentan-2-amine
PubChem CID127000084
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4-(3,3-dimethylazetidin-1-yl)pentan-2-amine
SMILESCC(N)CC(C)N1CC(C)(C)C1
InChIInChI=1S/C10H22N2/c1-8(11)5-9(2)12-6-10(3,4)7-12/h8-9H,5-7,11H2,1-4H3
InChIKeyPPPQPHQHNCSULE-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-dimethylazetidin-1-yl)pentan-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 4-(3,3-dimethylazetidin-1-yl)pentan-2-amine?
The IUPAC name of 4-(3,3-dimethylazetidin-1-yl)pentan-2-amine (CID 127000084) is 4-(3,3-dimethylazetidin-1-yl)pentan-2-amine.
What is the SMILES notation for 4-(3,3-dimethylazetidin-1-yl)pentan-2-amine?
The canonical SMILES for 4-(3,3-dimethylazetidin-1-yl)pentan-2-amine is CC(N)CC(C)N1CC(C)(C)C1.
What is the InChIKey of 4-(3,3-dimethylazetidin-1-yl)pentan-2-amine?
The InChIKey is PPPQPHQHNCSULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(11)5-9(2)12-6-10(3,4)7-12/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 4-(3,3-dimethylazetidin-1-yl)pentan-2-amine?
4-(3,3-dimethylazetidin-1-yl)pentan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylazetidin-1-yl)pentan-2-amine is sourced from PubChem (CID 127000084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).