1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine

C21H33N3 — CID 142230163

IUPAC1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
SMILESCCCC1CCC(C)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C11H13N3.C10H20/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-3-4-10-7-5-9(2)6-8-10/h4-7H,1-3H3;9-10H,3-8H2,1-2H3
InChIKeyRPEIEPOSDFGCMI-UHFFFAOYSA-N
MW327.52 g/mol
LogP5.62
Rot. Bonds3

About 1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine

1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142230163) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
PubChem CID142230163
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
SMILESCCCC1CCC(C)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C11H13N3.C10H20/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-3-4-10-7-5-9(2)6-8-10/h4-7H,1-3H3;9-10H,3-8H2,1-2H3
InChIKeyRPEIEPOSDFGCMI-UHFFFAOYSA-N
XLogP5.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
2-butyl-6-methylpyridine;ethane;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142228214
N-[(Z)-1-chlorobutan-2-ylideneamino]-N-methylmethanamine;1,4-dipropylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142231303
(3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142229145
1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229295
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
1,4-dimethylcyclohexane;N,N,2-trimethylquinazolin-4-amine;4,4,4-tris(4-chlorophenyl)butan-2-one
CID 142228370
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230633
4-[(4-methylcyclohexyl)methylamino]-1-phenylbutan-1-ol;N,N,2-trimethylquinazolin-4-amine
CID 142228945
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of 1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine (CID 142230163) is 1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for 1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for 1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine is CCCC1CCC(C)CC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of 1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is RPEIEPOSDFGCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.C10H20/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-3-4-10-7-5-9(2)6-8-10/h4-7H,1-3H3;9-10H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 327.52 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142230163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).