1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile

C13H24N2 — CID 61023499

IUPAC1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(NC(C)CC)CC1
InChIInChI=1S/C13H24N2/c1-4-11(3)15-13(10-14)8-6-12(5-2)7-9-13/h11-12,15H,4-9H2,1-3H3
InChIKeyJWWVPVAGOJAVTL-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.24
Rot. Bonds4

About 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile

1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile (PubChem CID 61023499) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
PubChem CID61023499
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(NC(C)CC)CC1
InChIInChI=1S/C13H24N2/c1-4-11(3)15-13(10-14)8-6-12(5-2)7-9-13/h11-12,15H,4-9H2,1-3H3
InChIKeyJWWVPVAGOJAVTL-UHFFFAOYSA-N
XLogP3.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile
CID 130554667
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide
CID 79160127
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide
CID 61121906
methyl 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carboxylate
CID 54908157
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
CID 65385598
1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
CID 61124092
1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile
CID 61023996
N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide
CID 61125083

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile (CID 61023499) is 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile is CCC1CCC(C#N)(NC(C)CC)CC1.
What is the InChIKey of 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile?
The InChIKey is JWWVPVAGOJAVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-11(3)15-13(10-14)8-6-12(5-2)7-9-13/h11-12,15H,4-9H2,1-3H3.
What are the key properties of 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile?
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile has a molecular weight of 208.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 61023499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).