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

C17H31NO2 — CID 71236125

IUPAC(3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol
SMILESCO[C@H]1/C=C/CCCCCN(C)C/C(C)=C\[C@@H](C)[C@@H]1O
InChIInChI=1S/C17H31NO2/c1-14-12-15(2)17(19)16(20-4)10-8-6-5-7-9-11-18(3)13-14/h8,10,12,15-17,19H,5-7,9,11,13H2,1-4H3/b10-8+,14-12-/t15-,16+,17+/m1/s1
InChIKeyRHZVDWVURCGKLO-ZFJCARCOSA-N
MW281.44 g/mol
LogP3.01
Rot. Bonds1

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

(3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol (PubChem CID 71236125) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol.

Molecular Properties

Compound Name(3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol
PubChem CID71236125
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol
SMILESCO[C@H]1/C=C/CCCCCN(C)C/C(C)=C\[C@@H](C)[C@@H]1O
InChIInChI=1S/C17H31NO2/c1-14-12-15(2)17(19)16(20-4)10-8-6-5-7-9-11-18(3)13-14/h8,10,12,15-17,19H,5-7,9,11,13H2,1-4H3/b10-8+,14-12-/t15-,16+,17+/m1/s1
InChIKeyRHZVDWVURCGKLO-ZFJCARCOSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
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-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The IUPAC name of (3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol (CID 71236125) is (3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol.
What is the SMILES notation for (3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The canonical SMILES for (3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol is CO[C@H]1/C=C/CCCCCN(C)C/C(C)=C\[C@@H](C)[C@@H]1O.
What is the InChIKey of (3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The InChIKey is RHZVDWVURCGKLO-ZFJCARCOSA-N. The full InChI is InChI=1S/C17H31NO2/c1-14-12-15(2)17(19)16(20-4)10-8-6-5-7-9-11-18(3)13-14/h8,10,12,15-17,19H,5-7,9,11,13H2,1-4H3/b10-8+,14-12-/t15-,16+,17+/m1/s1.
What are the key properties of (3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
(3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol has a molecular weight of 281.44 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol is sourced from PubChem (CID 71236125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).