2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile

C12H22N2 — CID 63862674

IUPAC2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile
SMILESCCC1CCCCC1N(CC)CC#N
InChIInChI=1S/C12H22N2/c1-3-11-7-5-6-8-12(11)14(4-2)10-9-13/h11-12H,3-8,10H2,1-2H3
InChIKeyMMPLQXMQWDKGII-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.80
Rot. Bonds4

About 2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile

2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile (PubChem CID 63862674) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile
PubChem CID63862674
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile
SMILESCCC1CCCCC1N(CC)CC#N
InChIInChI=1S/C12H22N2/c1-3-11-7-5-6-8-12(11)14(4-2)10-9-13/h11-12H,3-8,10H2,1-2H3
InChIKeyMMPLQXMQWDKGII-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide
CID 63863779
2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline
CID 63863049
2-[butyl-(2-ethylcyclohexyl)amino]ethanol
CID 63861495
1-[ethyl-(2-ethylcyclohexyl)amino]ethanol
CID 89249438
N-ethyl-N-(2-ethylcyclohexyl)azetidin-3-amine
CID 66182710
2-[cyclopentyl(pentyl)amino]acetonitrile
CID 62048934
CID 160611346
CID 160611346
6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile
CID 97026085
3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile
CID 102734559
2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
7,8-diethyl-1,1-dimethylcyclotridecane
CID 123809995
trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine
CID 15852265

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile?
The IUPAC name of 2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile (CID 63862674) is 2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile.
What is the SMILES notation for 2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile?
The canonical SMILES for 2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile is CCC1CCCCC1N(CC)CC#N.
What is the InChIKey of 2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile?
The InChIKey is MMPLQXMQWDKGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-11-7-5-6-8-12(11)14(4-2)10-9-13/h11-12H,3-8,10H2,1-2H3.
What are the key properties of 2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile?
2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile is sourced from PubChem (CID 63862674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).