cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide

C19H27N2- — CID 177423880

IUPACcyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide
SMILESC1=C/C(=C/[N-]C2CCCCC2)C(/C=N/C2CCCCC2)=C1
InChIInChI=1S/C19H27N2/c1-3-10-18(11-4-1)20-14-16-8-7-9-17(16)15-21-19-12-5-2-6-13-19/h7-9,14-15,18-19H,1-6,10-13H2/q-1/b16-14-,21-15+
InChIKeyIHOUGJCANIFFKZ-BAXAEGEVSA-N
MW283.44 g/mol
LogP5.48
Rot. Bonds4

About cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide

cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide (PubChem CID 177423880) has the molecular formula C19H27N2- and a molecular weight of 283.44 g/mol. Its IUPAC name is cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide.

Molecular Properties

Compound Namecyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide
PubChem CID177423880
Molecular FormulaC19H27N2-
Molecular Weight283.44 g/mol
Exact Mass283.22
IUPAC Namecyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide
SMILESC1=C/C(=C/[N-]C2CCCCC2)C(/C=N/C2CCCCC2)=C1
InChIInChI=1S/C19H27N2/c1-3-10-18(11-4-1)20-14-16-8-7-9-17(16)15-21-19-12-5-2-6-13-19/h7-9,14-15,18-19H,1-6,10-13H2/q-1/b16-14-,21-15+
InChIKeyIHOUGJCANIFFKZ-BAXAEGEVSA-N
XLogP5.48
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.44
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 18293350
N-(2-cyclohexa-1,3-dien-1-ylethyl)-1-[4-(2-cyclohexa-1,5-dien-1-ylethyliminomethyl)cyclopenta-1,3-dien-1-yl]methanimine
CID 130370022
N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine
CID 5250525
N-cyclohexyl-1-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-yl]methanimine
CID 6396320
N-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine
CID 6396321
N-cyclohexyl-1-[3-(cyclohexyliminomethyl)benzene-2-id-1-yl]methanimine
CID 101770058

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide?
The IUPAC name of cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide (CID 177423880) is cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide.
What is the SMILES notation for cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide?
The canonical SMILES for cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide is C1=C/C(=C/[N-]C2CCCCC2)C(/C=N/C2CCCCC2)=C1.
What is the InChIKey of cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide?
The InChIKey is IHOUGJCANIFFKZ-BAXAEGEVSA-N. The full InChI is InChI=1S/C19H27N2/c1-3-10-18(11-4-1)20-14-16-8-7-9-17(16)15-21-19-12-5-2-6-13-19/h7-9,14-15,18-19H,1-6,10-13H2/q-1/b16-14-,21-15+.
What are the key properties of cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide?
cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide has a molecular weight of 283.44 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide is sourced from PubChem (CID 177423880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).