4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile

C10H18N2 — CID 43115038

IUPAC4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(NC)CC1
InChIInChI=1S/C10H18N2/c1-3-9-4-6-10(8-11,12-2)7-5-9/h9,12H,3-7H2,1-2H3
InChIKeyAMLZNTXNGUMVDE-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds2

About 4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile

4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile (PubChem CID 43115038) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
PubChem CID43115038
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(NC)CC1
InChIInChI=1S/C10H18N2/c1-3-9-4-6-10(8-11,12-2)7-5-9/h9,12H,3-7H2,1-2H3
InChIKeyAMLZNTXNGUMVDE-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499
4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride
CID 74889891
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
CID 61124092
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
1-(4-bromoanilino)-4-ethylcyclohexane-1-carbonitrile
CID 54886374
N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide
CID 61125083
1-(methylamino)cyclopentane-1-carbonitrile
CID 12945445
4-methyl-1-(methylamino)cycloheptane-1-carbonitrile
CID 65085150
1-[2-(diethylamino)ethylamino]-4-ethylcycloheptane-1-carbonitrile
CID 65088092

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile (CID 43115038) is 4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile is CCC1CCC(C#N)(NC)CC1.
What is the InChIKey of 4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile?
The InChIKey is AMLZNTXNGUMVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-9-4-6-10(8-11,12-2)7-5-9/h9,12H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile?
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43115038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).