2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile

C16H22N2S — CID 61450752

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C16H22N2S/c1-12-4-5-13(10-17)16(9-12)18(14-6-7-14)11-15-3-2-8-19-15/h2-3,8,12-14,16H,4-7,9,11H2,1H3
InChIKeyJZNAVGIOACKEDS-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.04
Rot. Bonds4

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile (PubChem CID 61450752) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
PubChem CID61450752
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C16H22N2S/c1-12-4-5-13(10-17)16(9-12)18(14-6-7-14)11-15-3-2-8-19-15/h2-3,8,12-14,16H,4-7,9,11H2,1H3
InChIKeyJZNAVGIOACKEDS-UHFFFAOYSA-N
XLogP4.04
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79476145
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561825
2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
CID 61449195
N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996656
N-cyclopropyl-N-(thiophen-2-ylmethyl)azetidin-3-amine
CID 62784619
2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 43291873
N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996992
N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996454
N-cyclopropyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61383748
1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64762159
2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 43291939
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile (CID 61450752) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile is CC1CCC(C#N)C(N(Cc2cccs2)C2CC2)C1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The InChIKey is JZNAVGIOACKEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12-4-5-13(10-17)16(9-12)18(14-6-7-14)11-15-3-2-8-19-15/h2-3,8,12-14,16H,4-7,9,11H2,1H3.
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile has a molecular weight of 274.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 61450752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).