(3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol

C17H31NO2 — CID 71236104

IUPAC(3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol
SMILESCCN1CCCCC/C=C/[C@H](O)[C@@H](O)[C@H](C)/C=C(/C)C1
InChIInChI=1S/C17H31NO2/c1-4-18-11-9-7-5-6-8-10-16(19)17(20)15(3)12-14(2)13-18/h8,10,12,15-17,19-20H,4-7,9,11,13H2,1-3H3/b10-8+,14-12-/t15-,16+,17+/m1/s1
InChIKeyOVVRFMSGVDQTOM-ZFJCARCOSA-N
MW281.44 g/mol
LogP2.74
Rot. Bonds1

About (3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol

(3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol (PubChem CID 71236104) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol.

Molecular Properties

Compound Name(3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol
PubChem CID71236104
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol
SMILESCCN1CCCCC/C=C/[C@H](O)[C@@H](O)[C@H](C)/C=C(/C)C1
InChIInChI=1S/C17H31NO2/c1-4-18-11-9-7-5-6-8-10-16(19)17(20)15(3)12-14(2)13-18/h8,10,12,15-17,19-20H,4-7,9,11,13H2,1-3H3/b10-8+,14-12-/t15-,16+,17+/m1/s1
InChIKeyOVVRFMSGVDQTOM-ZFJCARCOSA-N
XLogP2.74
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol?
The IUPAC name of (3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol (CID 71236104) is (3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol.
What is the SMILES notation for (3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol?
The canonical SMILES for (3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol is CCN1CCCCC/C=C/[C@H](O)[C@@H](O)[C@H](C)/C=C(/C)C1.
What is the InChIKey of (3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol?
The InChIKey is OVVRFMSGVDQTOM-ZFJCARCOSA-N. The full InChI is InChI=1S/C17H31NO2/c1-4-18-11-9-7-5-6-8-10-16(19)17(20)15(3)12-14(2)13-18/h8,10,12,15-17,19-20H,4-7,9,11,13H2,1-3H3/b10-8+,14-12-/t15-,16+,17+/m1/s1.
What are the key properties of (3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol?
(3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol has a molecular weight of 281.44 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol is sourced from PubChem (CID 71236104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).