N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine

C19H28N2 — CID 5250525

IUPACN-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine
SMILESC1=CC(=CNC2CCCCC2)C(/C=N/C2CCCCC2)=C1
InChIInChI=1S/C19H28N2/c1-3-10-18(11-4-1)20-14-16-8-7-9-17(16)15-21-19-12-5-2-6-13-19/h7-9,14-15,18-20H,1-6,10-13H2/b16-14?,21-15+
InChIKeyIQACXDMWLKWVJO-WMWAGOIRSA-N
MW284.45 g/mol
LogP4.69
Rot. Bonds4

About N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine

N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine (PubChem CID 5250525) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine
PubChem CID5250525
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine
SMILESC1=CC(=CNC2CCCCC2)C(/C=N/C2CCCCC2)=C1
InChIInChI=1S/C19H28N2/c1-3-10-18(11-4-1)20-14-16-8-7-9-17(16)15-21-19-12-5-2-6-13-19/h7-9,14-15,18-20H,1-6,10-13H2/b16-14?,21-15+
InChIKeyIQACXDMWLKWVJO-WMWAGOIRSA-N
XLogP4.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine
CID 142202383
N-[(2Z,4Z)-4-methyl-3-[N-methyl-C-[(E)-1-methyliminobut-2-en-2-yl]carbonimidoyl]hepta-2,4,6-trien-2-yl]cyclohexanamine;2-methylpropane
CID 144055508
N-[(1Z)-buta-1,3-dienyl]-1-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridin-4-yl]methanimine
CID 145498108
(E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine;ethane
CID 153390167
3-Methyl-2-[[5-[(pentylamino)methyl]cyclohexa-2,4-dien-1-yl]iminomethyl]buta-1,3-dien-1-amine
CID 173764803
N-[1-[[(2E,3E,4Z)-2,3-di(ethylidene)-6-methylhepta-4,6-dienylidene]amino]ethenyl]cyclohexanamine
CID 173986093
N-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine
CID 6396321
N-[(2Z,4Z)-4-methyl-3-[N-methyl-C-[(E)-1-methyliminobut-2-en-2-yl]carbonimidoyl]hepta-2,4,6-trien-2-yl]cyclohexanamine
CID 144055509
(E)-3-(7,7a-dihydro-1H-indol-3-yl)-N,2-dimethylbut-2-en-1-imine
CID 153390168
cyclohexyl-[(Z)-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]azanide
CID 177423880

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine?
The IUPAC name of N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine (CID 5250525) is N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine.
What is the SMILES notation for N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine?
The canonical SMILES for N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine is C1=CC(=CNC2CCCCC2)C(/C=N/C2CCCCC2)=C1.
What is the InChIKey of N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine?
The InChIKey is IQACXDMWLKWVJO-WMWAGOIRSA-N. The full InChI is InChI=1S/C19H28N2/c1-3-10-18(11-4-1)20-14-16-8-7-9-17(16)15-21-19-12-5-2-6-13-19/h7-9,14-15,18-20H,1-6,10-13H2/b16-14?,21-15+.
What are the key properties of N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine?
N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine has a molecular weight of 284.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-ylidene]methyl]cyclohexanamine is sourced from PubChem (CID 5250525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).