(3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene

C9H15NO — CID 144830408

IUPAC(3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene
SMILESC=C.C=C/C(O)=C(/N)C(=C)C
InChIInChI=1S/C7H11NO.C2H4/c1-4-6(9)7(8)5(2)3;1-2/h4,9H,1-2,8H2,3H3;1-2H2/b7-6-;
InChIKeyURGNQWSXRXYRSV-NAFXZHHSSA-N
MW153.22 g/mol
LogP2.28
Rot. Bonds2

About (3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene

(3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene (PubChem CID 144830408) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene.

Molecular Properties

Compound Name(3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene
PubChem CID144830408
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene
SMILESC=C.C=C/C(O)=C(/N)C(=C)C
InChIInChI=1S/C7H11NO.C2H4/c1-4-6(9)7(8)5(2)3;1-2/h4,9H,1-2,8H2,3H3;1-2H2/b7-6-;
InChIKeyURGNQWSXRXYRSV-NAFXZHHSSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-4-methylbenzene-5-id-1-ol;yttrium
CID 57832769
4-Amino-2-methylbenzene-6-id-1-ol;yttrium
CID 57888499
2-Amino-4-methylbenzene-6-id-1-ol;yttrium
CID 58597155
4-Amino-2,6-dimethylbenzene-5-id-1-ol;yttrium
CID 59839387
2-Amino-3,4-dimethylbenzene-6-id-1-ol;yttrium
CID 60070095
2-Amino-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol
CID 68144324
(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol
CID 88566743
(2Z,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 88860175
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2E,4E)-4-amino-7-methylocta-2,4,7-trien-3-ol
CID 89010550
(3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol
CID 126490034

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene?
The IUPAC name of (3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene (CID 144830408) is (3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene.
What is the SMILES notation for (3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene?
The canonical SMILES for (3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene is C=C.C=C/C(O)=C(/N)C(=C)C.
What is the InChIKey of (3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene?
The InChIKey is URGNQWSXRXYRSV-NAFXZHHSSA-N. The full InChI is InChI=1S/C7H11NO.C2H4/c1-4-6(9)7(8)5(2)3;1-2/h4,9H,1-2,8H2,3H3;1-2H2/b7-6-;.
What are the key properties of (3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene?
(3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene has a molecular weight of 153.22 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-amino-5-methylhexa-1,3,5-trien-3-ol;ethene is sourced from PubChem (CID 144830408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).