2-anilinocycloheptane-1-carbonitrile

C14H18N2 — CID 62741640

IUPAC2-anilinocycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1Nc1ccccc1
InChIInChI=1S/C14H18N2/c15-11-12-7-3-1-6-10-14(12)16-13-8-4-2-5-9-13/h2,4-5,8-9,12,14,16H,1,3,6-7,10H2
InChIKeyVSMRKJMDMRIJRJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.57
Rot. Bonds2

About 2-anilinocycloheptane-1-carbonitrile

2-anilinocycloheptane-1-carbonitrile (PubChem CID 62741640) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-anilinocycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-anilinocycloheptane-1-carbonitrile
PubChem CID62741640
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-anilinocycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1Nc1ccccc1
InChIInChI=1S/C14H18N2/c15-11-12-7-3-1-6-10-14(12)16-13-8-4-2-5-9-13/h2,4-5,8-9,12,14,16H,1,3,6-7,10H2
InChIKeyVSMRKJMDMRIJRJ-UHFFFAOYSA-N
XLogP3.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilinocyclohexane-1-carbonitrile
CID 62741639
2-(3-chloroanilino)cycloheptane-1-carbonitrile
CID 62743508
2-(4-methoxyanilino)cycloheptane-1-carbonitrile
CID 55114320
2-[4-(cyanomethyl)anilino]cycloheptane-1-carbonitrile
CID 62743000
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752
2-(2-methylanilino)cycloheptane-1-carbonitrile
CID 62743701
2-[3-(methoxymethyl)anilino]cycloheptane-1-carbonitrile
CID 55114661
2-(4-propoxyanilino)cycloheptane-1-carbonitrile
CID 62742838
2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile
CID 62742030
2-(3-bromo-4-fluoroanilino)cycloheptane-1-carbonitrile
CID 104777727
2-(2-chloroanilino)cyclopentane-1-carbonitrile
CID 62741656
2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile
CID 62742212

Frequently Asked Questions

What is the IUPAC name of 2-anilinocycloheptane-1-carbonitrile?
The IUPAC name of 2-anilinocycloheptane-1-carbonitrile (CID 62741640) is 2-anilinocycloheptane-1-carbonitrile.
What is the SMILES notation for 2-anilinocycloheptane-1-carbonitrile?
The canonical SMILES for 2-anilinocycloheptane-1-carbonitrile is N#CC1CCCCCC1Nc1ccccc1.
What is the InChIKey of 2-anilinocycloheptane-1-carbonitrile?
The InChIKey is VSMRKJMDMRIJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c15-11-12-7-3-1-6-10-14(12)16-13-8-4-2-5-9-13/h2,4-5,8-9,12,14,16H,1,3,6-7,10H2.
What are the key properties of 2-anilinocycloheptane-1-carbonitrile?
2-anilinocycloheptane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinocycloheptane-1-carbonitrile is sourced from PubChem (CID 62741640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).