2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile

C14H20N2S — CID 81408481

IUPAC2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
SMILESC[C@@H](NC1CCCCCC1C#N)c1cccs1
InChIInChI=1S/C14H20N2S/c1-11(14-8-5-9-17-14)16-13-7-4-2-3-6-12(13)10-15/h5,8-9,11-13,16H,2-4,6-7H2,1H3/t11-,12?,13?/m1/s1
InChIKeyIHBQKJCSIWECRF-PNESKVBLSA-N
MW248.39 g/mol
LogP3.87
Rot. Bonds3

About 2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile

2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile (PubChem CID 81408481) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
PubChem CID81408481
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
SMILESC[C@@H](NC1CCCCCC1C#N)c1cccs1
InChIInChI=1S/C14H20N2S/c1-11(14-8-5-9-17-14)16-13-7-4-2-3-6-12(13)10-15/h5,8-9,11-13,16H,2-4,6-7H2,1H3/t11-,12?,13?/m1/s1
InChIKeyIHBQKJCSIWECRF-PNESKVBLSA-N
XLogP3.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-thiophen-2-ylethylamino)cycloheptane-1-carbonitrile
CID 62741305
2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
CID 55114712
2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile
CID 62741344
2-[1-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 62742244
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398668
2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62743330
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81386978
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81356243
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile (CID 81408481) is 2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile is C[C@@H](NC1CCCCCC1C#N)c1cccs1.
What is the InChIKey of 2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile?
The InChIKey is IHBQKJCSIWECRF-PNESKVBLSA-N. The full InChI is InChI=1S/C14H20N2S/c1-11(14-8-5-9-17-14)16-13-7-4-2-3-6-12(13)10-15/h5,8-9,11-13,16H,2-4,6-7H2,1H3/t11-,12?,13?/m1/s1.
What are the key properties of 2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile?
2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile has a molecular weight of 248.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 81408481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).