(3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol

C16H29NO — CID 144515532

IUPAC(3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol
SMILESCCN1CCCCC/C=C/C(O)CC/C=C(/C)C1
InChIInChI=1S/C16H29NO/c1-3-17-13-8-6-4-5-7-11-16(18)12-9-10-15(2)14-17/h7,10-11,16,18H,3-6,8-9,12-14H2,1-2H3/b11-7+,15-10-
InChIKeyCADOVJYCMRQVHY-OVJOMLMPSA-N
MW251.41 g/mol
LogP3.53
Rot. Bonds1

About (3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol

(3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol (PubChem CID 144515532) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol.

Molecular Properties

Compound Name(3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol
PubChem CID144515532
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol
SMILESCCN1CCCCC/C=C/C(O)CC/C=C(/C)C1
InChIInChI=1S/C16H29NO/c1-3-17-13-8-6-4-5-7-11-16(18)12-9-10-15(2)14-17/h7,10-11,16,18H,3-6,8-9,12-14H2,1-2H3/b11-7+,15-10-
InChIKeyCADOVJYCMRQVHY-OVJOMLMPSA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol with MolForge

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Related Compounds

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1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 13994773
3,7-Dimethyl-10-[methyl(prop-2-enyl)amino]deca-2,6-dien-1-ol
CID 53797884
3,7-Dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol
CID 54364222
(Z)-9-(diethylamino)-6-methylnon-5-en-2-ol
CID 58490282
(2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol
CID 70435113
(3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol
CID 71236104
(2E,6E)-3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol
CID 88184597
(2E,6E)-3,7-dimethyl-10-[methyl(prop-2-enyl)amino]deca-2,6-dien-1-ol
CID 88185339
(3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol
CID 89340754
1,3,5-Trimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol
CID 123817652

Frequently Asked Questions

What is the IUPAC name of (3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol?
The IUPAC name of (3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol (CID 144515532) is (3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol.
What is the SMILES notation for (3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol?
The canonical SMILES for (3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol is CCN1CCCCC/C=C/C(O)CC/C=C(/C)C1.
What is the InChIKey of (3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol?
The InChIKey is CADOVJYCMRQVHY-OVJOMLMPSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-17-13-8-6-4-5-7-11-16(18)12-9-10-15(2)14-17/h7,10-11,16,18H,3-6,8-9,12-14H2,1-2H3/b11-7+,15-10-.
What are the key properties of (3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol?
(3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol has a molecular weight of 251.41 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol is sourced from PubChem (CID 144515532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).