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

C33H50N4O — CID 142229379

IUPAC1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNCC2CCCCC2)CC1.Cc1nc(N(C)C)c2ccccc2n1.OCc1ccccc1
InChIInChI=1S/C15H29N.C11H13N3.C7H8O/c1-13-7-9-15(10-8-13)12-16-11-14-5-3-2-4-6-14;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;8-6-7-4-2-1-3-5-7/h13-16H,2-12H2,1H3;4-7H,1-3H3;1-5,8H,6H2
InChIKeyZBRVFTXIEMILLB-UHFFFAOYSA-N
MW518.79 g/mol
LogP7.17
Rot. Bonds6

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

1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142229379) has the molecular formula C33H50N4O and a molecular weight of 518.79 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
PubChem CID142229379
Molecular FormulaC33H50N4O
Molecular Weight518.79 g/mol
Exact Mass518.40
IUPAC Name1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNCC2CCCCC2)CC1.Cc1nc(N(C)C)c2ccccc2n1.OCc1ccccc1
InChIInChI=1S/C15H29N.C11H13N3.C7H8O/c1-13-7-9-15(10-8-13)12-16-11-14-5-3-2-4-6-14;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;8-6-7-4-2-1-3-5-7/h13-16H,2-12H2,1H3;4-7H,1-3H3;1-5,8H,6H2
InChIKeyZBRVFTXIEMILLB-UHFFFAOYSA-N
XLogP7.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.79
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
N-[[4-(difluoromethyl)phenyl]methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230510
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine
CID 142228945
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
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230633
N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230001
2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine
CID 142229573
ethene;1-(4-fluorophenyl)-4-[(4-methylcyclohexyl)methylamino]butan-1-ol;N,N,2-trimethylquinazolin-4-amine
CID 142229180
4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine
CID 142230377

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of 1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine (CID 142229379) is 1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for 1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for 1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine is CC1CCC(CNCC2CCCCC2)CC1.Cc1nc(N(C)C)c2ccccc2n1.OCc1ccccc1.
What is the InChIKey of 1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is ZBRVFTXIEMILLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.C11H13N3.C7H8O/c1-13-7-9-15(10-8-13)12-16-11-14-5-3-2-4-6-14;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;8-6-7-4-2-1-3-5-7/h13-16H,2-12H2,1H3;4-7H,1-3H3;1-5,8H,6H2.
What are the key properties of 1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine?
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 518.79 g/mol, XLogP of 7.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142229379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).