(4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol

C9H13NO — CID 144974462

IUPAC(4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol
SMILESC=C(/C=C\C(=C)C(=C)O)CN
InChIInChI=1S/C9H13NO/c1-7(6-10)4-5-8(2)9(3)11/h4-5,11H,1-3,6,10H2/b5-4-
InChIKeyHUEYFIOVUHPXLC-PLNGDYQASA-N
MW151.21 g/mol
LogP1.69
Rot. Bonds4

About (4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol

(4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol (PubChem CID 144974462) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol.

Molecular Properties

Compound Name(4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol
PubChem CID144974462
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol
SMILESC=C(/C=C\C(=C)C(=C)O)CN
InChIInChI=1S/C9H13NO/c1-7(6-10)4-5-8(2)9(3)11/h4-5,11H,1-3,6,10H2/b5-4-
InChIKeyHUEYFIOVUHPXLC-PLNGDYQASA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5,5-Dihydroxybenzylamine
CID 129724350
(2Z,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 88860175
(3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol
CID 89185801
3-(Aminomethyl)cyclohepta-1,3,6-trien-1-ol
CID 89381340
(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
CID 89381343
(2E,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 137393695
(3Z)-5-(aminomethyl)hexa-1,3,5-trien-2-ol;ethane
CID 141936633
(3Z)-5-(aminomethyl)hexa-1,3,5-trien-2-ol
CID 141936634
4-(Aminomethyl)cyclohepta-1,3,6-trien-1-ol
CID 142161850
(3Z)-3-(aminomethyl)hexa-1,3,5-trien-2-ol
CID 142163702
(3E)-4-(aminomethyl)hexa-1,3,5-trien-2-ol
CID 142354316
(3Z)-4-(aminomethyl)-2-methylhexa-1,3,5-trien-3-ol;ethane
CID 142547581

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol?
The IUPAC name of (4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol (CID 144974462) is (4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol.
What is the SMILES notation for (4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol?
The canonical SMILES for (4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol is C=C(/C=C\C(=C)C(=C)O)CN.
What is the InChIKey of (4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol?
The InChIKey is HUEYFIOVUHPXLC-PLNGDYQASA-N. The full InChI is InChI=1S/C9H13NO/c1-7(6-10)4-5-8(2)9(3)11/h4-5,11H,1-3,6,10H2/b5-4-.
What are the key properties of (4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol?
(4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol has a molecular weight of 151.21 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol is sourced from PubChem (CID 144974462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).