1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine

C24H39N3 — CID 142230066

IUPAC1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(C)CC1.CCC1CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C11H13N3.C8H16.C5H10/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-7-3-5-8(2)6-4-7;1-2-5-3-4-5/h4-7H,1-3H3;7-8H,3-6H2,1-2H3;5H,2-4H2,1H3
InChIKeyYBEKBXADVDKPAT-UHFFFAOYSA-N
MW369.60 g/mol
LogP6.64
Rot. Bonds2

About 1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine

1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142230066) has the molecular formula C24H39N3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
PubChem CID142230066
Molecular FormulaC24H39N3
Molecular Weight369.60 g/mol
Exact Mass369.31
IUPAC Name1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(C)CC1.CCC1CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C11H13N3.C8H16.C5H10/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-7-3-5-8(2)6-4-7;1-2-5-3-4-5/h4-7H,1-3H3;7-8H,3-6H2,1-2H3;5H,2-4H2,1H3
InChIKeyYBEKBXADVDKPAT-UHFFFAOYSA-N
XLogP6.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.60
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
(1E)-1-[(3E)-3-ethylideneinden-1-ylidene]propan-2-one;1-ethyl-4-methylcyclohexane;prop-1-ene;N,N,2-trimethylquinazolin-4-amine
CID 142229653
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
2-butyl-6-methylpyridine;ethane;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142228214
4-acetyl-N-[(4-ethylcyclohexyl)methyl]benzamide;N,N,2-trimethylquinazolin-4-amine
CID 142229164
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylphenol;N,N,2-trimethylquinazolin-4-amine
CID 142230775
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
N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine
CID 142230983
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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of 1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine (CID 142230066) is 1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for 1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for 1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine is CC1CCC(C)CC1.CCC1CC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of 1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is YBEKBXADVDKPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.C8H16.C5H10/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-7-3-5-8(2)6-4-7;1-2-5-3-4-5/h4-7H,1-3H3;7-8H,3-6H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of 1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine?
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 369.60 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142230066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).