N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine

C24H32Br2N4S — CID 142230633

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNCc2cc(Br)c(Br)s2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C13H19Br2NS.C11H13N3/c1-9-2-4-10(5-3-9)7-16-8-11-6-12(14)13(15)17-11;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h6,9-10,16H,2-5,7-8H2,1H3;4-7H,1-3H3
InChIKeyIKGGLWGWVRFAPH-UHFFFAOYSA-N
MW568.42 g/mol
LogP7.19
Rot. Bonds5

About N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine

N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142230633) has the molecular formula C24H32Br2N4S and a molecular weight of 568.42 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
PubChem CID142230633
Molecular FormulaC24H32Br2N4S
Molecular Weight568.42 g/mol
Exact Mass566.07
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNCc2cc(Br)c(Br)s2)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C13H19Br2NS.C11H13N3/c1-9-2-4-10(5-3-9)7-16-8-11-6-12(14)13(15)17-11;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h6,9-10,16H,2-5,7-8H2,1H3;4-7H,1-3H3
InChIKeyIKGGLWGWVRFAPH-UHFFFAOYSA-N
XLogP7.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.42
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine with MolForge

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Related Compounds

2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
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
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
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
N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230001
N-[(4-methylcyclohexyl)methyl]-2-(2,3,6-trichlorophenyl)ethanamine;N,N,2-trimethylquinazolin-4-amine
CID 142228957
5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine
CID 142228408
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229717
2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine
CID 142229693

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine (CID 142230633) is N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine is CC1CCC(CNCc2cc(Br)c(Br)s2)CC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is IKGGLWGWVRFAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NS.C11H13N3/c1-9-2-4-10(5-3-9)7-16-8-11-6-12(14)13(15)17-11;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h6,9-10,16H,2-5,7-8H2,1H3;4-7H,1-3H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 568.42 g/mol, XLogP of 7.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142230633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).