2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol

C14H27NO — CID 81419441

IUPAC2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC1CC=CCC1
InChIInChI=1S/C14H27NO/c1-3-14(4-2,12-16)11-15-10-13-8-6-5-7-9-13/h5-6,13,15-16H,3-4,7-12H2,1-2H3
InChIKeyIDVIXSNCQPTUQE-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.73
Rot. Bonds7

About 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol

2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol (PubChem CID 81419441) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol
PubChem CID81419441
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC1CC=CCC1
InChIInChI=1S/C14H27NO/c1-3-14(4-2,12-16)11-15-10-13-8-6-5-7-9-13/h5-6,13,15-16H,3-4,7-12H2,1-2H3
InChIKeyIDVIXSNCQPTUQE-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-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 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol (CID 81419441) is 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCC1CC=CCC1.
What is the InChIKey of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol?
The InChIKey is IDVIXSNCQPTUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-14(4-2,12-16)11-15-10-13-8-6-5-7-9-13/h5-6,13,15-16H,3-4,7-12H2,1-2H3.
What are the key properties of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol?
2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81419441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).