2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine

C29H44N4S — CID 142229693

IUPAC2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(CNCc2ccc(CC)s2)CC1.CCc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C17H29NS.C12H15N3/c1-3-5-14-6-8-15(9-7-14)12-18-13-17-11-10-16(4-2)19-17;1-4-11-13-10-8-6-5-7-9(10)12(14-11)15(2)3/h10-11,14-15,18H,3-9,12-13H2,1-2H3;5-8H,4H2,1-3H3
InChIKeyUQYJUMBKWAJUSB-UHFFFAOYSA-N
MW480.77 g/mol
LogP7.26
Rot. Bonds9

About 2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine

2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine (PubChem CID 142229693) has the molecular formula C29H44N4S and a molecular weight of 480.77 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine
PubChem CID142229693
Molecular FormulaC29H44N4S
Molecular Weight480.77 g/mol
Exact Mass480.33
IUPAC Name2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(CNCc2ccc(CC)s2)CC1.CCc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C17H29NS.C12H15N3/c1-3-5-14-6-8-15(9-7-14)12-18-13-17-11-10-16(4-2)19-17;1-4-11-13-10-8-6-5-7-9(10)12(14-11)15(2)3/h10-11,14-15,18H,3-9,12-13H2,1-2H3;5-8H,4H2,1-3H3
InChIKeyUQYJUMBKWAJUSB-UHFFFAOYSA-N
XLogP7.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.77
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229295
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230633
N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 162599108
N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142228277
N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142231140
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
N,N-dimethyl-2-[2-[(2S)-6-[[(3,4,5-trichlorothiophen-2-yl)methylamino]methyl]spiro[2.5]octan-2-yl]ethyl]quinazolin-4-amine
CID 142231062
N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine
CID 142229578
ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine
CID 142229131
4-N,4-N-dimethyl-2-N-[4-[[(4-phenoxyphenyl)methylamino]methyl]cyclohexyl]quinazoline-2,4-diamine;methane
CID 157442287
2-N-[4-[(furan-3-ylmethylamino)methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 161444301
2-N-[4-[[(4-aminophenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 89376599

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine?
The IUPAC name of 2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine (CID 142229693) is 2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine.
What is the SMILES notation for 2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine?
The canonical SMILES for 2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine is CCCC1CCC(CNCc2ccc(CC)s2)CC1.CCc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of 2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine?
The InChIKey is UQYJUMBKWAJUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS.C12H15N3/c1-3-5-14-6-8-15(9-7-14)12-18-13-17-11-10-16(4-2)19-17;1-4-11-13-10-8-6-5-7-9(10)12(14-11)15(2)3/h10-11,14-15,18H,3-9,12-13H2,1-2H3;5-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine?
2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine has a molecular weight of 480.77 g/mol, XLogP of 7.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine is sourced from PubChem (CID 142229693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).