N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine

C29H38N6 — CID 142230001

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNCc2ccc(-n3ccnc3)cc2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C18H25N3.C11H13N3/c1-15-2-4-16(5-3-15)12-20-13-17-6-8-18(9-7-17)21-11-10-19-14-21;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h6-11,14-16,20H,2-5,12-13H2,1H3;4-7H,1-3H3
InChIKeyQPGWEUMNQINATO-UHFFFAOYSA-N
MW470.67 g/mol
LogP5.79
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine

N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142230001) has the molecular formula C29H38N6 and a molecular weight of 470.67 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
PubChem CID142230001
Molecular FormulaC29H38N6
Molecular Weight470.67 g/mol
Exact Mass470.32
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNCc2ccc(-n3ccnc3)cc2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C18H25N3.C11H13N3/c1-15-2-4-16(5-3-15)12-20-13-17-6-8-18(9-7-17)21-11-10-19-14-21;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h6-11,14-16,20H,2-5,12-13H2,1H3;4-7H,1-3H3
InChIKeyQPGWEUMNQINATO-UHFFFAOYSA-N
XLogP5.79
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.67
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine with MolForge

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230510
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230633
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
N-[(4-methylcyclohexyl)methyl]-2-(2,3,6-trichlorophenyl)ethanamine;N,N,2-trimethylquinazolin-4-amine
CID 142228957
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229717
4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine
CID 142228945
1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229295
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylphenol;N,N,2-trimethylquinazolin-4-amine
CID 142230775
N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594086
2-N-[4-[[(4-aminophenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 89376599
[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine
CID 142229573

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine (CID 142230001) is N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine is CC1CCC(CNCc2ccc(-n3ccnc3)cc2)CC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is QPGWEUMNQINATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3.C11H13N3/c1-15-2-4-16(5-3-15)12-20-13-17-6-8-18(9-7-17)21-11-10-19-14-21;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h6-11,14-16,20H,2-5,12-13H2,1H3;4-7H,1-3H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 470.67 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142230001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).