3-butan-2-ylcyclohex-2-en-1-amine

C10H19N — CID 79446564

IUPAC3-butan-2-ylcyclohex-2-en-1-amine
SMILESCCC(C)C1=CC(N)CCC1
InChIInChI=1S/C10H19N/c1-3-8(2)9-5-4-6-10(11)7-9/h7-8,10H,3-6,11H2,1-2H3
InChIKeyJJDPFXWNZLTHQV-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.47
Rot. Bonds2

About 3-butan-2-ylcyclohex-2-en-1-amine

3-butan-2-ylcyclohex-2-en-1-amine (PubChem CID 79446564) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-butan-2-ylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-butan-2-ylcyclohex-2-en-1-amine
PubChem CID79446564
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-butan-2-ylcyclohex-2-en-1-amine
SMILESCCC(C)C1=CC(N)CCC1
InChIInChI=1S/C10H19N/c1-3-8(2)9-5-4-6-10(11)7-9/h7-8,10H,3-6,11H2,1-2H3
InChIKeyJJDPFXWNZLTHQV-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-butan-2-ylcyclohex-2-en-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-butan-2-ylcyclohex-2-en-1-amine?
The IUPAC name of 3-butan-2-ylcyclohex-2-en-1-amine (CID 79446564) is 3-butan-2-ylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-butan-2-ylcyclohex-2-en-1-amine?
The canonical SMILES for 3-butan-2-ylcyclohex-2-en-1-amine is CCC(C)C1=CC(N)CCC1.
What is the InChIKey of 3-butan-2-ylcyclohex-2-en-1-amine?
The InChIKey is JJDPFXWNZLTHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-8(2)9-5-4-6-10(11)7-9/h7-8,10H,3-6,11H2,1-2H3.
What are the key properties of 3-butan-2-ylcyclohex-2-en-1-amine?
3-butan-2-ylcyclohex-2-en-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylcyclohex-2-en-1-amine is sourced from PubChem (CID 79446564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).