2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile

C10H18N2 — CID 81385869

IUPAC2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile
SMILESC[C@@H](NCC#N)C1CCCCC1
InChIInChI=1S/C10H18N2/c1-9(12-8-7-11)10-5-3-2-4-6-10/h9-10,12H,2-6,8H2,1H3/t9-/m1/s1
InChIKeyOSOVVIMVSBFFEN-SECBINFHSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds3

About 2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile

2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile (PubChem CID 81385869) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile
PubChem CID81385869
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile
SMILESC[C@@H](NCC#N)C1CCCCC1
InChIInChI=1S/C10H18N2/c1-9(12-8-7-11)10-5-3-2-4-6-10/h9-10,12H,2-6,8H2,1H3/t9-/m1/s1
InChIKeyOSOVVIMVSBFFEN-SECBINFHSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-[[(1R)-1-cycloheptylethyl]amino]propanenitrile
CID 81393320
4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile
CID 81388332
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
[(1S)-1-cyclohexylethyl]cyanamide
CID 81385212
1-cyclopentyl-N-ethylethanamine
CID 60819244
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile?
The IUPAC name of 2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile (CID 81385869) is 2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile.
What is the SMILES notation for 2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile?
The canonical SMILES for 2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile is C[C@@H](NCC#N)C1CCCCC1.
What is the InChIKey of 2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile?
The InChIKey is OSOVVIMVSBFFEN-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(12-8-7-11)10-5-3-2-4-6-10/h9-10,12H,2-6,8H2,1H3/t9-/m1/s1.
What are the key properties of 2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile?
2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile is sourced from PubChem (CID 81385869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).