2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine

C19H25NS — CID 64763028

IUPAC2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(C)C(NC(c2ccccc2)c2cccs2)C1
InChIInChI=1S/C19H25NS/c1-14-10-11-15(2)17(13-14)20-19(18-9-6-12-21-18)16-7-4-3-5-8-16/h3-9,12,14-15,17,19-20H,10-11,13H2,1-2H3
InChIKeyJVQLCFUMWYPMGK-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.25
Rot. Bonds4

About 2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine

2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 64763028) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
PubChem CID64763028
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(C)C(NC(c2ccccc2)c2cccs2)C1
InChIInChI=1S/C19H25NS/c1-14-10-11-15(2)17(13-14)20-19(18-9-6-12-21-18)16-7-4-3-5-8-16/h3-9,12,14-15,17,19-20H,10-11,13H2,1-2H3
InChIKeyJVQLCFUMWYPMGK-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine
CID 104859620
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224426
N-[phenyl(thiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43722098
1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2,4-dimethylcyclohexan-1-amine
CID 63996037
N-[phenyl(thiophen-2-yl)methyl]thian-3-amine
CID 62873455
2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine
CID 79859844
1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine
CID 62981126
2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
CID 64760321
2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64733837
2,5-dimethyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64761315

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine (CID 64763028) is 2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine is CC1CCC(C)C(NC(c2ccccc2)c2cccs2)C1.
What is the InChIKey of 2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is JVQLCFUMWYPMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-14-10-11-15(2)17(13-14)20-19(18-9-6-12-21-18)16-7-4-3-5-8-16/h3-9,12,14-15,17,19-20H,10-11,13H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64763028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).