(Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol

C9H17NO — CID 143077542

IUPAC(Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol
SMILESC/C=C\C(=C/C)C[C@H](N)CO
InChIInChI=1S/C9H17NO/c1-3-5-8(4-2)6-9(10)7-11/h3-5,9,11H,6-7,10H2,1-2H3/b5-3-,8-4+/t9-/m0/s1
InChIKeyHWBUCDPNTZLOOF-OMYSDPPZSA-N
MW155.24 g/mol
LogP1.22
Rot. Bonds4

About (Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol

(Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol (PubChem CID 143077542) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol.

Molecular Properties

Compound Name(Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol
PubChem CID143077542
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol
SMILESC/C=C\C(=C/C)C[C@H](N)CO
InChIInChI=1S/C9H17NO/c1-3-5-8(4-2)6-9(10)7-11/h3-5,9,11H,6-7,10H2,1-2H3/b5-3-,8-4+/t9-/m0/s1
InChIKeyHWBUCDPNTZLOOF-OMYSDPPZSA-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

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CID 23427563
Crucigasterin 275
CID 134715062
6-Octen-1-ol, 3-amino-7-methyl-, (3S)-
CID 10986507
(3S,5Z,7E)-3-amino-7-fluoro-4-methylidenenona-5,7-dien-1-ol
CID 135229493
(Z)-6-amino-4-ethenyl-3-(1-fluoroethenyl)hept-3-en-1-ol
CID 142279463
(4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol
CID 142806656
(3E,5E)-2-amino-6-(2-fluoropropan-2-yl)-3-methylocta-3,5,7-trien-1-ol
CID 145012073
2-Amino-3-(6-fluorocyclohexa-1,5-dien-1-yl)propan-1-ol
CID 145561468
(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol
CID 142547574
(4Z,6E,9S)-9-amino-10-fluoro-7-methyl-4-[(Z)-prop-1-enyl]deca-4,6-diene-1,2-diol
CID 143418544
4-Aminooct-6-en-3-ol
CID 53806244

Frequently Asked Questions

What is the IUPAC name of (Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol?
The IUPAC name of (Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol (CID 143077542) is (Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol.
What is the SMILES notation for (Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol?
The canonical SMILES for (Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol is C/C=C\C(=C/C)C[C@H](N)CO.
What is the InChIKey of (Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol?
The InChIKey is HWBUCDPNTZLOOF-OMYSDPPZSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-8(4-2)6-9(10)7-11/h3-5,9,11H,6-7,10H2,1-2H3/b5-3-,8-4+/t9-/m0/s1.
What are the key properties of (Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol?
(Z,2S,4Z)-2-amino-4-ethylidenehept-5-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 (Z,2S,4Z)-2-amino-4-ethylidenehept-5-en-1-ol is sourced from PubChem (CID 143077542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).