2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile

C14H20N2S — CID 61345592

IUPAC2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile
SMILESCc1ccc(C(C#N)NC2CCCCCC2)s1
InChIInChI=1S/C14H20N2S/c1-11-8-9-14(17-11)13(10-15)16-12-6-4-2-3-5-7-12/h8-9,12-13,16H,2-7H2,1H3
InChIKeyCDLJUVLSZLOALR-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.93
Rot. Bonds3

About 2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile

2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile (PubChem CID 61345592) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile
PubChem CID61345592
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile
SMILESCc1ccc(C(C#N)NC2CCCCCC2)s1
InChIInChI=1S/C14H20N2S/c1-11-8-9-14(17-11)13(10-15)16-12-6-4-2-3-5-7-12/h8-9,12-13,16H,2-7H2,1H3
InChIKeyCDLJUVLSZLOALR-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetonitrile
CID 61346638
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)ethanol
CID 61345205
2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61345197
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile
CID 54894375
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
CID 61345599
(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81384118
2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile
CID 61002469
2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
CID 104770271
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
2-[bromo(cyclopentyl)methyl]-5-methylthiophene
CID 63435697

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile?
The IUPAC name of 2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile (CID 61345592) is 2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile.
What is the SMILES notation for 2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile?
The canonical SMILES for 2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile is Cc1ccc(C(C#N)NC2CCCCCC2)s1.
What is the InChIKey of 2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile?
The InChIKey is CDLJUVLSZLOALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-11-8-9-14(17-11)13(10-15)16-12-6-4-2-3-5-7-12/h8-9,12-13,16H,2-7H2,1H3.
What are the key properties of 2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile?
2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile has a molecular weight of 248.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile is sourced from PubChem (CID 61345592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).