(3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol

C9H15NO — CID 156874630

IUPAC(3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol
SMILESC=C/C=C(/O)C(=C)CCNC
InChIInChI=1S/C9H15NO/c1-4-5-9(11)8(2)6-7-10-3/h4-5,10-11H,1-2,6-7H2,3H3/b9-5+
InChIKeyHCLAFCHBWRTYDY-WEVVVXLNSA-N
MW153.22 g/mol
LogP1.78
Rot. Bonds5

About (3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol

(3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol (PubChem CID 156874630) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol.

Molecular Properties

Compound Name(3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol
PubChem CID156874630
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol
SMILESC=C/C=C(/O)C(=C)CCNC
InChIInChI=1S/C9H15NO/c1-4-5-9(11)8(2)6-7-10-3/h4-5,10-11H,1-2,6-7H2,3H3/b9-5+
InChIKeyHCLAFCHBWRTYDY-WEVVVXLNSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.78
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

(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
CID 143933261
(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 130243944
(1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol
CID 138482575
5-[2-(Methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol
CID 142123446
(3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol
CID 142872814
(3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol
CID 142953251
(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol
CID 143258823
3-(Methylaminomethyl)cyclohexa-1,3-dien-1-ol
CID 143349340
ethene;(3Z,5Z)-5-[2-(fluoromethylamino)ethyl]hepta-1,3,5-trien-2-ol
CID 143933260
(2E,4Z)-4-(methylaminomethyl)hepta-2,4,6-trien-3-ol
CID 144276874
(3E,5Z)-3-(2-aminoethyl)-5-methylhepta-1,3,5-trien-4-ol
CID 145606964
(E)-1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-2-ol
CID 146178200

Frequently Asked Questions

What is the IUPAC name of (3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol?
The IUPAC name of (3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol (CID 156874630) is (3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol.
What is the SMILES notation for (3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol?
The canonical SMILES for (3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol is C=C/C=C(/O)C(=C)CCNC.
What is the InChIKey of (3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol?
The InChIKey is HCLAFCHBWRTYDY-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-9(11)8(2)6-7-10-3/h4-5,10-11H,1-2,6-7H2,3H3/b9-5+.
What are the key properties of (3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol?
(3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol has a molecular weight of 153.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol is sourced from PubChem (CID 156874630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).