(4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol

C11H19NO — CID 142409612

IUPAC(4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol
SMILESC=C/C(=C\C(=C/C)CCCO)CN
InChIInChI=1S/C11H19NO/c1-3-10(6-5-7-13)8-11(4-2)9-12/h3-4,8,13H,2,5-7,9,12H2,1H3/b10-3-,11-8+
InChIKeyWVXMRZLVNSYVBG-GSRSKSEFSA-N
MW181.28 g/mol
LogP1.78
Rot. Bonds6

About (4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol

(4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol (PubChem CID 142409612) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol.

Molecular Properties

Compound Name(4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol
PubChem CID142409612
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol
SMILESC=C/C(=C\C(=C/C)CCCO)CN
InChIInChI=1S/C11H19NO/c1-3-10(6-5-7-13)8-11(4-2)9-12/h3-4,8,13H,2,5-7,9,12H2,1H3/b10-3-,11-8+
InChIKeyWVXMRZLVNSYVBG-GSRSKSEFSA-N
XLogP1.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.78
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
(4Z)-3-amino-4-ethenyl-5-fluoro-6-methylhepta-4,6-dien-1-ol
CID 142547574
(4E,8E)-10-amino-4,8-dimethyldeca-4,8-dien-1-ol
CID 88811405
(4E,5E,7E)-6-(aminomethyl)-8-bromo-4-ethylideneocta-5,7-dien-1-ol
CID 89131533
(Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol
CID 89187826
3-(4-Aminocyclohexa-1,5-dien-1-yl)propan-1-ol
CID 89195748
(2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol
CID 89256474
(4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol
CID 89423677
2-Amino-3-prop-1-enylhex-3-en-1-ol
CID 90939141
2-[4-(Aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol
CID 118888365
2-Amino-3-ethenylocta-3,5-dien-1-ol
CID 123257889
8-Aminoocta-4,6-dien-1-ol
CID 123355598

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol?
The IUPAC name of (4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol (CID 142409612) is (4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol.
What is the SMILES notation for (4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol?
The canonical SMILES for (4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol is C=C/C(=C\C(=C/C)CCCO)CN.
What is the InChIKey of (4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol?
The InChIKey is WVXMRZLVNSYVBG-GSRSKSEFSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-10(6-5-7-13)8-11(4-2)9-12/h3-4,8,13H,2,5-7,9,12H2,1H3/b10-3-,11-8+.
What are the key properties of (4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol?
(4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-6-(aminomethyl)-4-ethylideneocta-5,7-dien-1-ol is sourced from PubChem (CID 142409612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).