4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile

C16H24N2S — CID 79476145

IUPAC4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(C)C(C)Cc2cccs2)C1
InChIInChI=1S/C16H24N2S/c1-12-6-7-14(11-17)16(9-12)18(3)13(2)10-15-5-4-8-19-15/h4-5,8,12-14,16H,6-7,9-10H2,1-3H3
InChIKeyHBQDGURICRCHRZ-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.94
Rot. Bonds4

About 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile

4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 79476145) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile
PubChem CID79476145
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(C)C(C)Cc2cccs2)C1
InChIInChI=1S/C16H24N2S/c1-12-6-7-14(11-17)16(9-12)18(3)13(2)10-15-5-4-8-19-15/h4-5,8,12-14,16H,6-7,9-10H2,1-3H3
InChIKeyHBQDGURICRCHRZ-UHFFFAOYSA-N
XLogP3.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 61450752
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005241
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
N,4-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79486822
N-methyl-2-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005064
4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
CID 114763468
N-[1-(3-methylcyclopentyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65412770
2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 43291873
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one
CID 79486027
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine
CID 79494859
3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673593

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile (CID 79476145) is 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile is CC1CCC(C#N)C(N(C)C(C)Cc2cccs2)C1.
What is the InChIKey of 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is HBQDGURICRCHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-12-6-7-14(11-17)16(9-12)18(3)13(2)10-15-5-4-8-19-15/h4-5,8,12-14,16H,6-7,9-10H2,1-3H3.
What are the key properties of 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile?
4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 276.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 79476145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).