2-ethyl-3-(methylamino)hex-5-en-1-ol

C9H19NO — CID 142059283

IUPAC2-ethyl-3-(methylamino)hex-5-en-1-ol
SMILESC=CCC(NC)C(CC)CO
InChIInChI=1S/C9H19NO/c1-4-6-9(10-3)8(5-2)7-11/h4,8-11H,1,5-7H2,2-3H3
InChIKeyIRIGXSPHGOJQKZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.17
Rot. Bonds6

About 2-ethyl-3-(methylamino)hex-5-en-1-ol

2-ethyl-3-(methylamino)hex-5-en-1-ol (PubChem CID 142059283) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-ethyl-3-(methylamino)hex-5-en-1-ol.

Molecular Properties

Compound Name2-ethyl-3-(methylamino)hex-5-en-1-ol
PubChem CID142059283
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-ethyl-3-(methylamino)hex-5-en-1-ol
SMILESC=CCC(NC)C(CC)CO
InChIInChI=1S/C9H19NO/c1-4-6-9(10-3)8(5-2)7-11/h4,8-11H,1,5-7H2,2-3H3
InChIKeyIRIGXSPHGOJQKZ-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-(methylamino)hex-5-en-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

Related Compounds

3-(Methylaminomethyl)hex-5-en-1-ol
CID 23122164
[(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol
CID 58168867
4-(4-Hydroxybutylamino)-4-prop-2-enylhept-6-en-1-ol
CID 87687606
3-Amino-2-propylpent-4-en-1-ol
CID 88083817
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-3-ethenyl-5-methylhexan-1-ol
CID 88588470
(E)-3-amino-4-ethyldec-5-en-1-ol
CID 89126658
2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
2-Ethenyl-4-methyl-1-(methylamino)pentan-1-ol
CID 90938856
4-Methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
CID 104926876
3-[[(1R)-2-ethenylcyclohexyl]amino]propan-1-ol
CID 118281674
1-[6-(Methylamino)cyclohex-3-en-1-yl]ethanol
CID 143631192
5-(2-Methylbutan-2-ylamino)hept-1-en-3-ol
CID 146505716

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(methylamino)hex-5-en-1-ol?
The IUPAC name of 2-ethyl-3-(methylamino)hex-5-en-1-ol (CID 142059283) is 2-ethyl-3-(methylamino)hex-5-en-1-ol.
What is the SMILES notation for 2-ethyl-3-(methylamino)hex-5-en-1-ol?
The canonical SMILES for 2-ethyl-3-(methylamino)hex-5-en-1-ol is C=CCC(NC)C(CC)CO.
What is the InChIKey of 2-ethyl-3-(methylamino)hex-5-en-1-ol?
The InChIKey is IRIGXSPHGOJQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-9(10-3)8(5-2)7-11/h4,8-11H,1,5-7H2,2-3H3.
What are the key properties of 2-ethyl-3-(methylamino)hex-5-en-1-ol?
2-ethyl-3-(methylamino)hex-5-en-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(methylamino)hex-5-en-1-ol is sourced from PubChem (CID 142059283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).