(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol

C16H29NO2 — CID 71236092

IUPAC(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
SMILESCO[C@H]1/C=C/CCCCCNC/C(C)=C\[C@@H](C)[C@@H]1O
InChIInChI=1S/C16H29NO2/c1-13-11-14(2)16(18)15(19-3)9-7-5-4-6-8-10-17-12-13/h7,9,11,14-18H,4-6,8,10,12H2,1-3H3/b9-7+,13-11-/t14-,15+,16+/m1/s1
InChIKeyMZGFCDLPIQYKJZ-BXRWGAHISA-N
MW267.41 g/mol
LogP2.66
Rot. Bonds1

About (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol

(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol (PubChem CID 71236092) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol.

Molecular Properties

Compound Name(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
PubChem CID71236092
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
SMILESCO[C@H]1/C=C/CCCCCNC/C(C)=C\[C@@H](C)[C@@H]1O
InChIInChI=1S/C16H29NO2/c1-13-11-14(2)16(18)15(19-3)9-7-5-4-6-8-10-17-12-13/h7,9,11,14-18H,4-6,8,10,12H2,1-3H3/b9-7+,13-11-/t14-,15+,16+/m1/s1
InChIKeyMZGFCDLPIQYKJZ-BXRWGAHISA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The IUPAC name of (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol (CID 71236092) is (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol.
What is the SMILES notation for (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The canonical SMILES for (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol is CO[C@H]1/C=C/CCCCCNC/C(C)=C\[C@@H](C)[C@@H]1O.
What is the InChIKey of (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The InChIKey is MZGFCDLPIQYKJZ-BXRWGAHISA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-11-14(2)16(18)15(19-3)9-7-5-4-6-8-10-17-12-13/h7,9,11,14-18H,4-6,8,10,12H2,1-3H3/b9-7+,13-11-/t14-,15+,16+/m1/s1.
What are the key properties of (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol has a molecular weight of 267.41 g/mol, XLogP of 2.66, 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)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol is sourced from PubChem (CID 71236092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).