(17Z)-10-methyl-1-azacycloheptacos-17-ene

C27H53N — CID 129147305

IUPAC(17Z)-10-methyl-1-azacycloheptacos-17-ene
SMILESCC1CCCCCC/C=C\CCCCCCCCCNCCCCCCCC1
InChIInChI=1S/C27H53N/c1-27-23-19-15-11-9-7-5-3-2-4-6-8-10-13-17-21-25-28-26-22-18-14-12-16-20-24-27/h3,5,27-28H,2,4,6-26H2,1H3/b5-3-
InChIKeyDAIMTZREZHWUAL-HYXAFXHYSA-N
MW391.73 g/mol
LogP8.97
Rot. Bonds

About (17Z)-10-methyl-1-azacycloheptacos-17-ene

(17Z)-10-methyl-1-azacycloheptacos-17-ene (PubChem CID 129147305) has the molecular formula C27H53N and a molecular weight of 391.73 g/mol. Its IUPAC name is (17Z)-10-methyl-1-azacycloheptacos-17-ene.

Molecular Properties

Compound Name(17Z)-10-methyl-1-azacycloheptacos-17-ene
PubChem CID129147305
Molecular FormulaC27H53N
Molecular Weight391.73 g/mol
Exact Mass391.42
IUPAC Name(17Z)-10-methyl-1-azacycloheptacos-17-ene
SMILESCC1CCCCCC/C=C\CCCCCCCCCNCCCCCCCC1
InChIInChI=1S/C27H53N/c1-27-23-19-15-11-9-7-5-3-2-4-6-8-10-13-17-21-25-28-26-22-18-14-12-16-20-24-27/h3,5,27-28H,2,4,6-26H2,1H3/b5-3-
InChIKeyDAIMTZREZHWUAL-HYXAFXHYSA-N
XLogP8.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.73
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (17Z)-10-methyl-1-azacycloheptacos-17-ene?
The IUPAC name of (17Z)-10-methyl-1-azacycloheptacos-17-ene (CID 129147305) is (17Z)-10-methyl-1-azacycloheptacos-17-ene.
What is the SMILES notation for (17Z)-10-methyl-1-azacycloheptacos-17-ene?
The canonical SMILES for (17Z)-10-methyl-1-azacycloheptacos-17-ene is CC1CCCCCC/C=C\CCCCCCCCCNCCCCCCCC1.
What is the InChIKey of (17Z)-10-methyl-1-azacycloheptacos-17-ene?
The InChIKey is DAIMTZREZHWUAL-HYXAFXHYSA-N. The full InChI is InChI=1S/C27H53N/c1-27-23-19-15-11-9-7-5-3-2-4-6-8-10-13-17-21-25-28-26-22-18-14-12-16-20-24-27/h3,5,27-28H,2,4,6-26H2,1H3/b5-3-.
What are the key properties of (17Z)-10-methyl-1-azacycloheptacos-17-ene?
(17Z)-10-methyl-1-azacycloheptacos-17-ene has a molecular weight of 391.73 g/mol, XLogP of 8.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (17Z)-10-methyl-1-azacycloheptacos-17-ene is sourced from PubChem (CID 129147305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).