3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine

C13H26N2 — CID 80561615

IUPAC3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine
SMILESCC(C)C1CCCN(C2CC(N)C2)CC1
InChIInChI=1S/C13H26N2/c1-10(2)11-4-3-6-15(7-5-11)13-8-12(14)9-13/h10-13H,3-9,14H2,1-2H3
InChIKeyIQVZLOXFHPVGKM-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.23
Rot. Bonds2

About 3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine

3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine (PubChem CID 80561615) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine
PubChem CID80561615
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine
SMILESCC(C)C1CCCN(C2CC(N)C2)CC1
InChIInChI=1S/C13H26N2/c1-10(2)11-4-3-6-15(7-5-11)13-8-12(14)9-13/h10-13H,3-9,14H2,1-2H3
InChIKeyIQVZLOXFHPVGKM-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-propan-2-ylazepan-1-yl)cyclobutan-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 3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine (CID 80561615) is 3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine is CC(C)C1CCCN(C2CC(N)C2)CC1.
What is the InChIKey of 3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine?
The InChIKey is IQVZLOXFHPVGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)11-4-3-6-15(7-5-11)13-8-12(14)9-13/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine?
3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 80561615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).