3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol

C14H25NO — CID 112633242

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCC1=CCCCC1
InChIInChI=1S/C14H25NO/c1-14(2)12(10-13(14)16)15-9-8-11-6-4-3-5-7-11/h6,12-13,15-16H,3-5,7-10H2,1-2H3
InChIKeyBCYRKVYNHGHDLH-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.63
Rot. Bonds4

About 3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol

3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633242) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID112633242
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCCC1=CCCCC1
InChIInChI=1S/C14H25NO/c1-14(2)12(10-13(14)16)15-9-8-11-6-4-3-5-7-11/h6,12-13,15-16H,3-5,7-10H2,1-2H3
InChIKeyBCYRKVYNHGHDLH-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol 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-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol (CID 112633242) is 3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCCC1=CCCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is BCYRKVYNHGHDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2)12(10-13(14)16)15-9-8-11-6-4-3-5-7-11/h6,12-13,15-16H,3-5,7-10H2,1-2H3.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).