4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine

C18H24N4 — CID 172923036

IUPAC4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine
SMILESNc1ccc(N/N=C2\C=CC(C3CCC(N)CC3)=CC2)cc1
InChIInChI=1S/C18H24N4/c19-15-5-1-13(2-6-15)14-3-9-17(10-4-14)21-22-18-11-7-16(20)8-12-18/h3-4,7-9,11-13,15,22H,1-2,5-6,10,19-20H2/b21-17+
InChIKeyGMOXFPIRVDIYBL-HEHNFIMWSA-N
MW296.42 g/mol
LogP3.44
Rot. Bonds3

About 4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine

4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine (PubChem CID 172923036) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine
PubChem CID172923036
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine
SMILESNc1ccc(N/N=C2\C=CC(C3CCC(N)CC3)=CC2)cc1
InChIInChI=1S/C18H24N4/c19-15-5-1-13(2-6-15)14-3-9-17(10-4-14)21-22-18-11-7-16(20)8-12-18/h3-4,7-9,11-13,15,22H,1-2,5-6,10,19-20H2/b21-17+
InChIKeyGMOXFPIRVDIYBL-HEHNFIMWSA-N
XLogP3.44
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine?
The IUPAC name of 4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine (CID 172923036) is 4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine?
The canonical SMILES for 4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine is Nc1ccc(N/N=C2\C=CC(C3CCC(N)CC3)=CC2)cc1.
What is the InChIKey of 4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine?
The InChIKey is GMOXFPIRVDIYBL-HEHNFIMWSA-N. The full InChI is InChI=1S/C18H24N4/c19-15-5-1-13(2-6-15)14-3-9-17(10-4-14)21-22-18-11-7-16(20)8-12-18/h3-4,7-9,11-13,15,22H,1-2,5-6,10,19-20H2/b21-17+.
What are the key properties of 4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine?
4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(Z)-[4-(4-aminocyclohexyl)cyclohexa-2,4-dien-1-ylidene]amino]benzene-1,4-diamine is sourced from PubChem (CID 172923036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).