1-(cycloheptylamino)cycloheptane-1-carbonitrile

C15H26N2 — CID 54894296

IUPAC1-(cycloheptylamino)cycloheptane-1-carbonitrile
SMILESN#CC1(NC2CCCCCC2)CCCCCC1
InChIInChI=1S/C15H26N2/c16-13-15(11-7-3-4-8-12-15)17-14-9-5-1-2-6-10-14/h14,17H,1-12H2
InChIKeyOTDSJCTZAVJXGK-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.92
Rot. Bonds2

About 1-(cycloheptylamino)cycloheptane-1-carbonitrile

1-(cycloheptylamino)cycloheptane-1-carbonitrile (PubChem CID 54894296) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(cycloheptylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(cycloheptylamino)cycloheptane-1-carbonitrile
PubChem CID54894296
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(cycloheptylamino)cycloheptane-1-carbonitrile
SMILESN#CC1(NC2CCCCCC2)CCCCCC1
InChIInChI=1S/C15H26N2/c16-13-15(11-7-3-4-8-12-15)17-14-9-5-1-2-6-10-14/h14,17H,1-12H2
InChIKeyOTDSJCTZAVJXGK-UHFFFAOYSA-N
XLogP3.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(cycloheptylamino)cycloheptane-1-carbonitrile (CID 54894296) is 1-(cycloheptylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(cycloheptylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(cycloheptylamino)cycloheptane-1-carbonitrile is N#CC1(NC2CCCCCC2)CCCCCC1.
What is the InChIKey of 1-(cycloheptylamino)cycloheptane-1-carbonitrile?
The InChIKey is OTDSJCTZAVJXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c16-13-15(11-7-3-4-8-12-15)17-14-9-5-1-2-6-10-14/h14,17H,1-12H2.
What are the key properties of 1-(cycloheptylamino)cycloheptane-1-carbonitrile?
1-(cycloheptylamino)cycloheptane-1-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 54894296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).