2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile

C15H22N2S — CID 62741344

IUPAC2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile
SMILESCCCC(NC1CCCCC1C#N)c1cccs1
InChIInChI=1S/C15H22N2S/c1-2-6-14(15-9-5-10-18-15)17-13-8-4-3-7-12(13)11-16/h5,9-10,12-14,17H,2-4,6-8H2,1H3
InChIKeyYXXMAFCXZLDLAF-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.26
Rot. Bonds5

About 2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile

2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile (PubChem CID 62741344) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile
PubChem CID62741344
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile
SMILESCCCC(NC1CCCCC1C#N)c1cccs1
InChIInChI=1S/C15H22N2S/c1-2-6-14(15-9-5-10-18-15)17-13-8-4-3-7-12(13)11-16/h5,9-10,12-14,17H,2-4,6-8H2,1H3
InChIKeyYXXMAFCXZLDLAF-UHFFFAOYSA-N
XLogP4.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
CID 55114712
2-(1-thiophen-2-ylethylamino)cycloheptane-1-carbonitrile
CID 62741305
2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
CID 81408481
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853218
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 79536699
2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43673863
1-thiophen-2-ylbutylcyanamide
CID 62481656
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
CID 65091558
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile (CID 62741344) is 2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile is CCCC(NC1CCCCC1C#N)c1cccs1.
What is the InChIKey of 2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile?
The InChIKey is YXXMAFCXZLDLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-6-14(15-9-5-10-18-15)17-13-8-4-3-7-12(13)11-16/h5,9-10,12-14,17H,2-4,6-8H2,1H3.
What are the key properties of 2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile?
2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile has a molecular weight of 262.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 62741344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).