2-amino-3-prop-1-enylhex-3-en-1-ol

C9H17NO — CID 90939141

IUPAC2-amino-3-prop-1-enylhex-3-en-1-ol
SMILESCC=CC(=CCC)C(N)CO
InChIInChI=1S/C9H17NO/c1-3-5-8(6-4-2)9(10)7-11/h3,5-6,9,11H,4,7,10H2,1-2H3
InChIKeyZSGNSSYWLDHHCF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.22
Rot. Bonds4

About 2-amino-3-prop-1-enylhex-3-en-1-ol

2-amino-3-prop-1-enylhex-3-en-1-ol (PubChem CID 90939141) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-amino-3-prop-1-enylhex-3-en-1-ol.

Molecular Properties

Compound Name2-amino-3-prop-1-enylhex-3-en-1-ol
PubChem CID90939141
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-amino-3-prop-1-enylhex-3-en-1-ol
SMILESCC=CC(=CCC)C(N)CO
InChIInChI=1S/C9H17NO/c1-3-5-8(6-4-2)9(10)7-11/h3,5-6,9,11H,4,7,10H2,1-2H3
InChIKeyZSGNSSYWLDHHCF-UHFFFAOYSA-N
XLogP1.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol
CID 135229493
(3E)-5-amino-3-fluoro-2,2,6-trimethylhepta-3,6-dien-1-ol
CID 139455860
(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol
CID 142279463
(2S)-2-amino-2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol
CID 144266272
(3E,5E)-2-amino-6-(2-fluoropropan-2-yl)-3-methylocta-3,5,7-trien-1-ol
CID 145012073
2-Amino-5-methylhex-4-en-1-ol
CID 55254047
(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol
CID 142547574
(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol
CID 142559493
(2R,3Z,7E,9E,13R)-2-amino-13-methoxy-10-methylhexadeca-3,7,9,15-tetraen-1-ol
CID 11077232
2-Aminooct-4-en-1-ol
CID 55253955
6-Aminooct-4-en-1-ol
CID 57048558
(2S)-2-amino-5-methylhex-4-en-1-ol
CID 58308156

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-prop-1-enylhex-3-en-1-ol?
The IUPAC name of 2-amino-3-prop-1-enylhex-3-en-1-ol (CID 90939141) is 2-amino-3-prop-1-enylhex-3-en-1-ol.
What is the SMILES notation for 2-amino-3-prop-1-enylhex-3-en-1-ol?
The canonical SMILES for 2-amino-3-prop-1-enylhex-3-en-1-ol is CC=CC(=CCC)C(N)CO.
What is the InChIKey of 2-amino-3-prop-1-enylhex-3-en-1-ol?
The InChIKey is ZSGNSSYWLDHHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-8(6-4-2)9(10)7-11/h3,5-6,9,11H,4,7,10H2,1-2H3.
What are the key properties of 2-amino-3-prop-1-enylhex-3-en-1-ol?
2-amino-3-prop-1-enylhex-3-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-prop-1-enylhex-3-en-1-ol is sourced from PubChem (CID 90939141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).