1-(cycloheptylamino)cyclooctane-1-carbonitrile

C16H28N2 — CID 54894299

IUPAC1-(cycloheptylamino)cyclooctane-1-carbonitrile
SMILESN#CC1(NC2CCCCCC2)CCCCCCC1
InChIInChI=1S/C16H28N2/c17-14-16(12-8-4-1-5-9-13-16)18-15-10-6-2-3-7-11-15/h15,18H,1-13H2
InChIKeyRXANZELDQYVFEC-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.31
Rot. Bonds2

About 1-(cycloheptylamino)cyclooctane-1-carbonitrile

1-(cycloheptylamino)cyclooctane-1-carbonitrile (PubChem CID 54894299) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(cycloheptylamino)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(cycloheptylamino)cyclooctane-1-carbonitrile
PubChem CID54894299
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(cycloheptylamino)cyclooctane-1-carbonitrile
SMILESN#CC1(NC2CCCCCC2)CCCCCCC1
InChIInChI=1S/C16H28N2/c17-14-16(12-8-4-1-5-9-13-16)18-15-10-6-2-3-7-11-15/h15,18H,1-13H2
InChIKeyRXANZELDQYVFEC-UHFFFAOYSA-N
XLogP4.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 28702667
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CID 114818329
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
3-(cyclohexylamino)thiolane-3-carbonitrile
CID 60997661
1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile
CID 65089014
3-(cyclopropylamino)piperidine-3-carbonitrile
CID 79308453
1-(1-cyanocyclooctyl)-3-cyclohexylurea
CID 61124742
3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 54894294
3-(cyclohexylamino)-5-methylthiolane-3-carbonitrile
CID 79950472
2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 60997796
1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile
CID 63467066

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(cycloheptylamino)cyclooctane-1-carbonitrile (CID 54894299) is 1-(cycloheptylamino)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(cycloheptylamino)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(cycloheptylamino)cyclooctane-1-carbonitrile is N#CC1(NC2CCCCCC2)CCCCCCC1.
What is the InChIKey of 1-(cycloheptylamino)cyclooctane-1-carbonitrile?
The InChIKey is RXANZELDQYVFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c17-14-16(12-8-4-1-5-9-13-16)18-15-10-6-2-3-7-11-15/h15,18H,1-13H2.
What are the key properties of 1-(cycloheptylamino)cyclooctane-1-carbonitrile?
1-(cycloheptylamino)cyclooctane-1-carbonitrile has a molecular weight of 248.41 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)cyclooctane-1-carbonitrile is sourced from PubChem (CID 54894299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).