1-anilinocycloheptane-1-carbonitrile

C14H18N2 — CID 12008890

IUPAC1-anilinocycloheptane-1-carbonitrile
SMILESN#CC1(Nc2ccccc2)CCCCCC1
InChIInChI=1S/C14H18N2/c15-12-14(10-6-1-2-7-11-14)16-13-8-4-3-5-9-13/h3-5,8-9,16H,1-2,6-7,10-11H2
InChIKeyYAGBCOPLMKDFBN-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.72
Rot. Bonds2

About 1-anilinocycloheptane-1-carbonitrile

1-anilinocycloheptane-1-carbonitrile (PubChem CID 12008890) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-anilinocycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-anilinocycloheptane-1-carbonitrile
PubChem CID12008890
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-anilinocycloheptane-1-carbonitrile
SMILESN#CC1(Nc2ccccc2)CCCCCC1
InChIInChI=1S/C14H18N2/c15-12-14(10-6-1-2-7-11-14)16-13-8-4-3-5-9-13/h3-5,8-9,16H,1-2,6-7,10-11H2
InChIKeyYAGBCOPLMKDFBN-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-anilinocycloheptane-1-carbonitrile?
The IUPAC name of 1-anilinocycloheptane-1-carbonitrile (CID 12008890) is 1-anilinocycloheptane-1-carbonitrile.
What is the SMILES notation for 1-anilinocycloheptane-1-carbonitrile?
The canonical SMILES for 1-anilinocycloheptane-1-carbonitrile is N#CC1(Nc2ccccc2)CCCCCC1.
What is the InChIKey of 1-anilinocycloheptane-1-carbonitrile?
The InChIKey is YAGBCOPLMKDFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c15-12-14(10-6-1-2-7-11-14)16-13-8-4-3-5-9-13/h3-5,8-9,16H,1-2,6-7,10-11H2.
What are the key properties of 1-anilinocycloheptane-1-carbonitrile?
1-anilinocycloheptane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilinocycloheptane-1-carbonitrile is sourced from PubChem (CID 12008890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).