3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol

C13H27NO — CID 104925900

IUPAC3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESC=CCCC(C)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-11(2)14-12(9-10-15)13(3,4)5/h6,11-12,14-15H,1,7-10H2,2-5H3
InChIKeyKOQDKDZTDFFPJX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.73
Rot. Bonds7

About 3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol

3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 104925900) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID104925900
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESC=CCCC(C)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-11(2)14-12(9-10-15)13(3,4)5/h6,11-12,14-15H,1,7-10H2,2-5H3
InChIKeyKOQDKDZTDFFPJX-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-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-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol (CID 104925900) is 3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol is C=CCCC(C)NC(CCO)C(C)(C)C.
What is the InChIKey of 3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is KOQDKDZTDFFPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-8-11(2)14-12(9-10-15)13(3,4)5/h6,11-12,14-15H,1,7-10H2,2-5H3.
What are the key properties of 3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol?
3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 213.36 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 3-(hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104925900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).