1-(cyclopropylamino)cyclohexane-1-carbonitrile

C10H16N2 — CID 28702726

IUPAC1-(cyclopropylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCCC1
InChIInChI=1S/C10H16N2/c11-8-10(12-9-4-5-9)6-2-1-3-7-10/h9,12H,1-7H2
InChIKeyIURUECKVRWFTTP-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.96
Rot. Bonds2

About 1-(cyclopropylamino)cyclohexane-1-carbonitrile

1-(cyclopropylamino)cyclohexane-1-carbonitrile (PubChem CID 28702726) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(cyclopropylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)cyclohexane-1-carbonitrile
PubChem CID28702726
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(cyclopropylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCCC1
InChIInChI=1S/C10H16N2/c11-8-10(12-9-4-5-9)6-2-1-3-7-10/h9,12H,1-7H2
InChIKeyIURUECKVRWFTTP-UHFFFAOYSA-N
XLogP1.96
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)cyclohexane-1-carbonitrile (CID 28702726) is 1-(cyclopropylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)cyclohexane-1-carbonitrile is N#CC1(NC2CC2)CCCCC1.
What is the InChIKey of 1-(cyclopropylamino)cyclohexane-1-carbonitrile?
The InChIKey is IURUECKVRWFTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-8-10(12-9-4-5-9)6-2-1-3-7-10/h9,12H,1-7H2.
What are the key properties of 1-(cyclopropylamino)cyclohexane-1-carbonitrile?
1-(cyclopropylamino)cyclohexane-1-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 28702726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).