14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene

C27H35N — CID 90968452

IUPAC14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene
SMILESC=CC=C1C=C=C2C(=C(C3CCCCC3)C=C1CC(=C)C)CC/N=C\CC2C
InChIInChI=1S/C27H35N/c1-5-9-22-12-13-25-21(4)14-16-28-17-15-26(25)27(19-24(22)18-20(2)3)23-10-7-6-8-11-23/h5,9,12,16,19,21,23H,1-2,6-8,10-11,14-15,17-18H2,3-4H3/b22-9?,24-19?,27-26?,28-16-
InChIKeyPKQBBGSEDLNOJW-LKSBXBLUSA-N
MW373.58 g/mol
LogP7.46
Rot. Bonds4

About 14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene

14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene (PubChem CID 90968452) has the molecular formula C27H35N and a molecular weight of 373.58 g/mol. Its IUPAC name is 14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene.

Molecular Properties

Compound Name14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene
PubChem CID90968452
Molecular FormulaC27H35N
Molecular Weight373.58 g/mol
Exact Mass373.28
IUPAC Name14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene
SMILESC=CC=C1C=C=C2C(=C(C3CCCCC3)C=C1CC(=C)C)CC/N=C\CC2C
InChIInChI=1S/C27H35N/c1-5-9-22-12-13-25-21(4)14-16-28-17-15-26(25)27(19-24(22)18-20(2)3)23-10-7-6-8-11-23/h5,9,12,16,19,21,23H,1-2,6-8,10-11,14-15,17-18H2,3-4H3/b22-9?,24-19?,27-26?,28-16-
InChIKeyPKQBBGSEDLNOJW-LKSBXBLUSA-N
XLogP7.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene with MolForge

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Related Compounds

2-Cyclohexyl-11-pentyl-1-azacyclododeca-4,8,12-triene
CID 56991544
1-Methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine
CID 91269631
2-[5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)hex-5-enyl]-2H-azirine
CID 91307077
4-(4-Methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine
CID 123503471
7-Cyclohepta-1,3,6-trien-1-yl-6-methyl-3-azabicyclo[6.6.0]tetradeca-2,6-diene
CID 124021746
(1E,12Z)-13-[(1E,4Z)-2-ethyl-3-methylidenehexa-1,4-dienyl]-12-methyl-9-azabicyclo[5.4.2]trideca-1(11),9,12-triene
CID 126637939
3-(7-cyclohexa-1,5-dien-1-ylheptyl)-5-(2-ethylpentyl)-3,4-dihydro-2H-pyrrole
CID 129215631
N-[(5E,7E,9Z,11E)-4-methylheptadeca-5,7,9,11-tetraenyl]propan-1-imine
CID 132204967
N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine
CID 135228780
(2Z)-N,7,10,11-tetramethyl-5-methylidene-4-propan-2-ylidenedodeca-2,10-dien-1-imine
CID 138700838
(Z,4S)-N,4,11-trimethyl-7-methylidenetridec-5-en-1-imine
CID 139439590
6-[5-[(10Z)-4-ethylcycloundeca-2,10-dien-1-yl]hexa-1,5-dien-2-yl]-5-methyl-3,4-dihydropyridine
CID 139563387

Frequently Asked Questions

What is the IUPAC name of 14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene?
The IUPAC name of 14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene (CID 90968452) is 14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene.
What is the SMILES notation for 14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene?
The canonical SMILES for 14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene is C=CC=C1C=C=C2C(=C(C3CCCCC3)C=C1CC(=C)C)CC/N=C\CC2C.
What is the InChIKey of 14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene?
The InChIKey is PKQBBGSEDLNOJW-LKSBXBLUSA-N. The full InChI is InChI=1S/C27H35N/c1-5-9-22-12-13-25-21(4)14-16-28-17-15-26(25)27(19-24(22)18-20(2)3)23-10-7-6-8-11-23/h5,9,12,16,19,21,23H,1-2,6-8,10-11,14-15,17-18H2,3-4H3/b22-9?,24-19?,27-26?,28-16-.
What are the key properties of 14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene?
14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene has a molecular weight of 373.58 g/mol, XLogP of 7.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene is sourced from PubChem (CID 90968452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).