2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile

C15H22N2S — CID 55114712

IUPAC2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
SMILESCCC(NC1CCCCCC1C#N)c1cccs1
InChIInChI=1S/C15H22N2S/c1-2-13(15-9-6-10-18-15)17-14-8-5-3-4-7-12(14)11-16/h6,9-10,12-14,17H,2-5,7-8H2,1H3
InChIKeyWCLDWTFHDYEZKZ-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.26
Rot. Bonds4

About 2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile

2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile (PubChem CID 55114712) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
PubChem CID55114712
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
SMILESCCC(NC1CCCCCC1C#N)c1cccs1
InChIInChI=1S/C15H22N2S/c1-2-13(15-9-6-10-18-15)17-14-8-5-3-4-7-12(14)11-16/h6,9-10,12-14,17H,2-5,7-8H2,1H3
InChIKeyWCLDWTFHDYEZKZ-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile
CID 62741344
2-(1-thiophen-2-ylethylamino)cycloheptane-1-carbonitrile
CID 62741305
2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
CID 81408481
2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43673863
2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile
CID 55151786
2-(2-methylpentan-3-ylamino)cycloheptane-1-carbonitrile
CID 62742422
2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
2-[1-(3,4-dimethoxyphenyl)propylamino]cyclopentane-1-carbonitrile
CID 62962195
2-[1-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 62742244
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555
N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine
CID 115893597

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile (CID 55114712) is 2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile is CCC(NC1CCCCCC1C#N)c1cccs1.
What is the InChIKey of 2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile?
The InChIKey is WCLDWTFHDYEZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-13(15-9-6-10-18-15)17-14-8-5-3-4-7-12(14)11-16/h6,9-10,12-14,17H,2-5,7-8H2,1H3.
What are the key properties of 2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile?
2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile has a molecular weight of 262.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 55114712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).