(2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane

C10H19NO — CID 145335706

IUPAC(2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane
SMILESC=C/C=C(\C=C)[C@H](N)CO.CC
InChIInChI=1S/C8H13NO.C2H6/c1-3-5-7(4-2)8(9)6-10;1-2/h3-5,8,10H,1-2,6,9H2;1-2H3/b7-5+;/t8-;/m1./s1
InChIKeyJJGHWSCLTVYZNW-ZLAVLSMZSA-N
MW169.27 g/mol
LogP1.63
Rot. Bonds4

About (2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane

(2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane (PubChem CID 145335706) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane.

Molecular Properties

Compound Name(2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane
PubChem CID145335706
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane
SMILESC=C/C=C(\C=C)[C@H](N)CO.CC
InChIInChI=1S/C8H13NO.C2H6/c1-3-5-7(4-2)8(9)6-10;1-2/h3-5,8,10H,1-2,6,9H2;1-2H3/b7-5+;/t8-;/m1./s1
InChIKeyJJGHWSCLTVYZNW-ZLAVLSMZSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.63
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 (2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane?
The IUPAC name of (2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane (CID 145335706) is (2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane.
What is the SMILES notation for (2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane?
The canonical SMILES for (2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane is C=C/C=C(\C=C)[C@H](N)CO.CC.
What is the InChIKey of (2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane?
The InChIKey is JJGHWSCLTVYZNW-ZLAVLSMZSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-3-5-7(4-2)8(9)6-10;1-2/h3-5,8,10H,1-2,6,9H2;1-2H3/b7-5+;/t8-;/m1./s1.
What are the key properties of (2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane?
(2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane has a molecular weight of 169.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E)-2-amino-3-ethenylhexa-3,5-dien-1-ol;ethane is sourced from PubChem (CID 145335706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).