N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine

C19H25NS — CID 65104467

IUPACN-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine
SMILESCNC(c1csc(C)c1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H25NS/c1-15-13-16(14-21-15)18(20-2)19(11-7-4-8-12-19)17-9-5-3-6-10-17/h3,5-6,9-10,13-14,18,20H,4,7-8,11-12H2,1-2H3
InChIKeyGKYDPTBZILZJMS-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.22
Rot. Bonds4

About N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine

N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine (PubChem CID 65104467) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine
PubChem CID65104467
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine
SMILESCNC(c1csc(C)c1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H25NS/c1-15-13-16(14-21-15)18(20-2)19(11-7-4-8-12-19)17-9-5-3-6-10-17/h3,5-6,9-10,13-14,18,20H,4,7-8,11-12H2,1-2H3
InChIKeyGKYDPTBZILZJMS-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine (CID 65104467) is N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine is CNC(c1csc(C)c1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine?
The InChIKey is GKYDPTBZILZJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-15-13-16(14-21-15)18(20-2)19(11-7-4-8-12-19)17-9-5-3-6-10-17/h3,5-6,9-10,13-14,18,20H,4,7-8,11-12H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine?
N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine has a molecular weight of 299.48 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine is sourced from PubChem (CID 65104467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).