2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol

C14H19NO — CID 144658807

IUPAC2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol
SMILESC=C(/C=C\C=C(/C)N)C1=C(O)C(C)CC=C1
InChIInChI=1S/C14H19NO/c1-10(6-4-8-12(3)15)13-9-5-7-11(2)14(13)16/h4-6,8-9,11,16H,1,7,15H2,2-3H3/b6-4-,12-8+
InChIKeyDZUSRQHBBPSCJC-XWBYBSRJSA-N
MW217.31 g/mol
LogP3.37
Rot. Bonds3

About 2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol

2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 144658807) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID144658807
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol
SMILESC=C(/C=C\C=C(/C)N)C1=C(O)C(C)CC=C1
InChIInChI=1S/C14H19NO/c1-10(6-4-8-12(3)15)13-9-5-7-11(2)14(13)16/h4-6,8-9,11,16H,1,7,15H2,2-3H3/b6-4-,12-8+
InChIKeyDZUSRQHBBPSCJC-XWBYBSRJSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol with MolForge

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Related Compounds

6-Amino-1,3-dihydroxybenzocycloheptene
CID 137319
6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol
CID 67962900
4-(5-Aminocyclohexa-2,4-dien-1-ylidene)-2-methylbutan-2-ol
CID 69305731
(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol
CID 89047516
4-Amino-2-methylcyclohexa-1,3-dien-1-ol
CID 89152195
(4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol
CID 126755582
(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol
CID 130391029
(3E,5E,8E,9Z)-11-amino-8-ethylidene-6-methyl-7-methylidenedodeca-3,5,9,11-tetraen-3-ol
CID 132047364
(3E,5E)-6-aminoocta-3,5-dien-3-ol;ethane;ethene
CID 141772051
acetylene;(1E)-3-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)buta-1,3-dien-1-ol;ethane
CID 143357506
(5E,6E)-5-(1-aminoethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-ol;ethane
CID 144298178
(3E)-4-amino-2-(2,5-dimethylcyclohepta-2,4,6-trien-1-yl)penta-1,3-dien-3-ol
CID 144935413

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol (CID 144658807) is 2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol is C=C(/C=C\C=C(/C)N)C1=C(O)C(C)CC=C1.
What is the InChIKey of 2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is DZUSRQHBBPSCJC-XWBYBSRJSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(6-4-8-12(3)15)13-9-5-7-11(2)14(13)16/h4-6,8-9,11,16H,1,7,15H2,2-3H3/b6-4-,12-8+.
What are the key properties of 2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol?
2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 217.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 144658807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).