4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile

C15H22N2S — CID 62708816

IUPAC4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile
SMILESCC(C)C1CCC(C#N)(NCc2cccs2)CC1
InChIInChI=1S/C15H22N2S/c1-12(2)13-5-7-15(11-16,8-6-13)17-10-14-4-3-9-18-14/h3-4,9,12-13,17H,5-8,10H2,1-2H3
InChIKeyTXPNHBGEZYTGGV-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.95
Rot. Bonds4

About 4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile

4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile (PubChem CID 62708816) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile
PubChem CID62708816
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile
SMILESCC(C)C1CCC(C#N)(NCc2cccs2)CC1
InChIInChI=1S/C15H22N2S/c1-12(2)13-5-7-15(11-16,8-6-13)17-10-14-4-3-9-18-14/h3-4,9,12-13,17H,5-8,10H2,1-2H3
InChIKeyTXPNHBGEZYTGGV-UHFFFAOYSA-N
XLogP3.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379764
3,3,5,5-tetramethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 112682396
5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile
CID 115349222
1-(thiophen-2-ylmethylamino)-2,3-dihydroindene-1-carbonitrile
CID 54887332
2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 103503524
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62071589
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
3-methyl-4-(thiophen-2-ylmethylamino)-2,3-dihydrochromene-4-carbonitrile
CID 104524441
7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
CID 118200045
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
1-(thiophen-2-ylmethylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 54886964

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile (CID 62708816) is 4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile is CC(C)C1CCC(C#N)(NCc2cccs2)CC1.
What is the InChIKey of 4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile?
The InChIKey is TXPNHBGEZYTGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-12(2)13-5-7-15(11-16,8-6-13)17-10-14-4-3-9-18-14/h3-4,9,12-13,17H,5-8,10H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile?
4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile has a molecular weight of 262.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 62708816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).