1-(propylamino)cyclohexane-1-carbonitrile

C10H18N2 — CID 13352468

IUPAC1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCCC1
InChIInChI=1S/C10H18N2/c1-2-8-12-10(9-11)6-4-3-5-7-10/h12H,2-8H2,1H3
InChIKeyPSUIRNXMELEXMW-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.21
Rot. Bonds3

About 1-(propylamino)cyclohexane-1-carbonitrile

1-(propylamino)cyclohexane-1-carbonitrile (PubChem CID 13352468) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(propylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(propylamino)cyclohexane-1-carbonitrile
PubChem CID13352468
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCCC1
InChIInChI=1S/C10H18N2/c1-2-8-12-10(9-11)6-4-3-5-7-10/h12H,2-8H2,1H3
InChIKeyPSUIRNXMELEXMW-UHFFFAOYSA-N
XLogP2.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(propylamino)cyclohexane-1-carbonitrile (CID 13352468) is 1-(propylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(propylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(propylamino)cyclohexane-1-carbonitrile is CCCNC1(C#N)CCCCC1.
What is the InChIKey of 1-(propylamino)cyclohexane-1-carbonitrile?
The InChIKey is PSUIRNXMELEXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-8-12-10(9-11)6-4-3-5-7-10/h12H,2-8H2,1H3.
What are the key properties of 1-(propylamino)cyclohexane-1-carbonitrile?
1-(propylamino)cyclohexane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 13352468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).