N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine

C20H27N3 — CID 141067374

IUPACN-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine
SMILESCN(C)C1=CC(c2ccccc2C=NNC2CCCCC2)C=C1
InChIInChI=1S/C20H27N3/c1-23(2)19-13-12-16(14-19)20-11-7-6-8-17(20)15-21-22-18-9-4-3-5-10-18/h6-8,11-16,18,22H,3-5,9-10H2,1-2H3
InChIKeyDRPPZYGLRQDWQP-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.04
Rot. Bonds5

About N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine

N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine (PubChem CID 141067374) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine.

Molecular Properties

Compound NameN-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine
PubChem CID141067374
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC NameN-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine
SMILESCN(C)C1=CC(c2ccccc2C=NNC2CCCCC2)C=C1
InChIInChI=1S/C20H27N3/c1-23(2)19-13-12-16(14-19)20-11-7-6-8-17(20)15-21-22-18-9-4-3-5-10-18/h6-8,11-16,18,22H,3-5,9-10H2,1-2H3
InChIKeyDRPPZYGLRQDWQP-UHFFFAOYSA-N
XLogP4.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)phenyl]methylideneamino]cyclohexanamine
CID 141067325
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine
CID 23015761
N-[(E)-pyren-1-ylmethylideneamino]cyclohexanamine
CID 20816730
5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine
CID 141067018
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine
CID 141066966
N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline
CID 169382596
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
2-[[[2-(cycloheptylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3722549
(3S)-N-[(Z)-(2-nitrophenyl)methylideneamino]-1,1-dioxothiolan-3-amine
CID 51417760
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]thiourea
CID 168535084

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine?
The IUPAC name of N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine (CID 141067374) is N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine.
What is the SMILES notation for N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine?
The canonical SMILES for N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine is CN(C)C1=CC(c2ccccc2C=NNC2CCCCC2)C=C1.
What is the InChIKey of N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine?
The InChIKey is DRPPZYGLRQDWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-23(2)19-13-12-16(14-19)20-11-7-6-8-17(20)15-21-22-18-9-4-3-5-10-18/h6-8,11-16,18,22H,3-5,9-10H2,1-2H3.
What are the key properties of N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine?
N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine has a molecular weight of 309.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine is sourced from PubChem (CID 141067374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).