(3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol

C9H15NO — CID 142953251

IUPAC(3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(\C=C/C)CNC
InChIInChI=1S/C9H15NO/c1-4-6-8(7-10-3)9(11)5-2/h4-6,10-11H,2,7H2,1,3H3/b6-4-,9-8-
InChIKeyLMERHUOGFHYZDA-KDAARUEYSA-N
MW153.22 g/mol
LogP1.78
Rot. Bonds4

About (3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol

(3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol (PubChem CID 142953251) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol
PubChem CID142953251
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(\C=C/C)CNC
InChIInChI=1S/C9H15NO/c1-4-6-8(7-10-3)9(11)5-2/h4-6,10-11H,2,7H2,1,3H3/b6-4-,9-8-
InChIKeyLMERHUOGFHYZDA-KDAARUEYSA-N
XLogP1.78
TPSA32.26 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 ≤ 51.78
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

(2Z,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 88860175
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,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
CID 126583250
(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 130243944
(2E,4E,6E)-2-methyl-1-(methylamino)nona-2,4,6-trien-4-ol
CID 132044721
(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
5-[2-(Methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol
CID 142123446
4-(Methylaminomethyl)cyclohepta-2,4,6-trien-1-ol
CID 142206585
cyclohepta-1,3,6-trien-1-ol;N-methylpropan-1-amine
CID 142206809
(3Z)-4-(aminomethyl)-2-methylhexa-1,3,5-trien-3-ol;ethane
CID 142547581

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol?
The IUPAC name of (3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol (CID 142953251) is (3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol.
What is the SMILES notation for (3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol?
The canonical SMILES for (3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol is C=C/C(O)=C(\C=C/C)CNC.
What is the InChIKey of (3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol?
The InChIKey is LMERHUOGFHYZDA-KDAARUEYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-8(7-10-3)9(11)5-2/h4-6,10-11H,2,7H2,1,3H3/b6-4-,9-8-.
What are the key properties of (3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol?
(3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol has a molecular weight of 153.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-(methylaminomethyl)hepta-1,3,5-trien-3-ol is sourced from PubChem (CID 142953251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).