(Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol

C9H15NO — CID 156799800

IUPAC(Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol
SMILESC=C(/C=C\C(=C/N)CC)CO
InChIInChI=1S/C9H15NO/c1-3-9(6-10)5-4-8(2)7-11/h4-6,11H,2-3,7,10H2,1H3/b5-4-,9-6-
InChIKeyIEMIXQLPNNSWIS-WXOLFVLTSA-N
MW153.22 g/mol
LogP1.34
Rot. Bonds4

About (Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol

(Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol (PubChem CID 156799800) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol.

Molecular Properties

Compound Name(Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol
PubChem CID156799800
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol
SMILESC=C(/C=C\C(=C/N)CC)CO
InChIInChI=1S/C9H15NO/c1-3-9(6-10)5-4-8(2)7-11/h4-6,11H,2-3,7,10H2,1H3/b5-4-,9-6-
InChIKeyIEMIXQLPNNSWIS-WXOLFVLTSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.34
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

[[(1Z,3Z)-3-(hydroxymethyl)hepta-1,3-dienyl]amino] thiohypofluorite
CID 142531071
1-(1H-azepin-3-yl)ethanol
CID 22019434
6-(Aminomethylidene)cyclohexa-2,4-dien-1-ol
CID 67159572
(6-methyl-1H-azepin-4-yl)methanol
CID 70472138
(6-ethyl-1H-azepin-4-yl)methanol
CID 70472240
(3-methyl-1H-azepin-4-yl)methanol
CID 70473243
(2E,3E)-2-(aminomethylidene)-4-bromohexa-3,5-dien-1-ol
CID 88227138
(3Z)-3-[(Z)-2-aminoethenyl]hexa-3,5-dien-1-ol
CID 88971984
1-(1H-azepin-4-yl)ethanol
CID 89156860
(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol
CID 89187292
(Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol
CID 89187826
[(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol
CID 89196782

Frequently Asked Questions

What is the IUPAC name of (Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol?
The IUPAC name of (Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol (CID 156799800) is (Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol.
What is the SMILES notation for (Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol?
The canonical SMILES for (Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol is C=C(/C=C\C(=C/N)CC)CO.
What is the InChIKey of (Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol?
The InChIKey is IEMIXQLPNNSWIS-WXOLFVLTSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(6-10)5-4-8(2)7-11/h4-6,11H,2-3,7,10H2,1H3/b5-4-,9-6-.
What are the key properties of (Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol?
(Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol is sourced from PubChem (CID 156799800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).