4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine

C29H42N4O — CID 142228945

IUPAC4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNCCCC(O)c2ccccc2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C18H29NO.C11H13N3/c1-15-9-11-16(12-10-15)14-19-13-5-8-18(20)17-6-3-2-4-7-17;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-4,6-7,15-16,18-20H,5,8-14H2,1H3;4-7H,1-3H3
InChIKeyOSWSNWKLVIQKKL-UHFFFAOYSA-N
MW462.68 g/mol
LogP5.92
Rot. Bonds8

About 4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine

4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142228945) has the molecular formula C29H42N4O and a molecular weight of 462.68 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine
PubChem CID142228945
Molecular FormulaC29H42N4O
Molecular Weight462.68 g/mol
Exact Mass462.34
IUPAC Name4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNCCCC(O)c2ccccc2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C18H29NO.C11H13N3/c1-15-9-11-16(12-10-15)14-19-13-5-8-18(20)17-6-3-2-4-7-17;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-4,6-7,15-16,18-20H,5,8-14H2,1H3;4-7H,1-3H3
InChIKeyOSWSNWKLVIQKKL-UHFFFAOYSA-N
XLogP5.92
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

ethene;1-(4-fluorophenyl)-4-[(4-methylcyclohexyl)methylamino]butan-1-ol;N,N,2-trimethylquinazolin-4-amine
CID 142229180
N-[[4-(difluoromethyl)phenyl]methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230510
N-[(4-methylcyclohexyl)methyl]-2-(2,3,6-trichlorophenyl)ethanamine;N,N,2-trimethylquinazolin-4-amine
CID 142228957
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine
CID 142229573
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230633
2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230001
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229717
1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229295

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of 4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine (CID 142228945) is 4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for 4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for 4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine is CC1CCC(CNCCCC(O)c2ccccc2)CC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of 4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is OSWSNWKLVIQKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.C11H13N3/c1-15-9-11-16(12-10-15)14-19-13-5-8-18(20)17-6-3-2-4-7-17;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-4,6-7,15-16,18-20H,5,8-14H2,1H3;4-7H,1-3H3.
What are the key properties of 4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine?
4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 462.68 g/mol, XLogP of 5.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142228945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).