2-cyclohexyl-2-(propylamino)acetonitrile

C11H20N2 — CID 43115221

IUPAC2-cyclohexyl-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)C1CCCCC1
InChIInChI=1S/C11H20N2/c1-2-8-13-11(9-12)10-6-4-3-5-7-10/h10-11,13H,2-8H2,1H3
InChIKeyAPMYOGAEQZMCKB-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.46
Rot. Bonds4

About 2-cyclohexyl-2-(propylamino)acetonitrile

2-cyclohexyl-2-(propylamino)acetonitrile (PubChem CID 43115221) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-cyclohexyl-2-(propylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(propylamino)acetonitrile
PubChem CID43115221
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-cyclohexyl-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)C1CCCCC1
InChIInChI=1S/C11H20N2/c1-2-8-13-11(9-12)10-6-4-3-5-7-10/h10-11,13H,2-8H2,1H3
InChIKeyAPMYOGAEQZMCKB-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile
CID 62071768
2-cyclohexyl-2-[3-(dimethylamino)propylamino]acetonitrile
CID 112512139
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
2-cyclohexylpentanenitrile
CID 20506214
2-(ethylamino)-2-(oxan-3-yl)acetonitrile
CID 63741653
N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide
CID 55136713

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(propylamino)acetonitrile?
The IUPAC name of 2-cyclohexyl-2-(propylamino)acetonitrile (CID 43115221) is 2-cyclohexyl-2-(propylamino)acetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-(propylamino)acetonitrile?
The canonical SMILES for 2-cyclohexyl-2-(propylamino)acetonitrile is CCCNC(C#N)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(propylamino)acetonitrile?
The InChIKey is APMYOGAEQZMCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-8-13-11(9-12)10-6-4-3-5-7-10/h10-11,13H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-2-(propylamino)acetonitrile?
2-cyclohexyl-2-(propylamino)acetonitrile has a molecular weight of 180.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(propylamino)acetonitrile is sourced from PubChem (CID 43115221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).