2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile

C13H24N2 — CID 43115118

IUPAC2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCCC1C(C)(C)C
InChIInChI=1S/C13H24N2/c1-5-15-13(10-14)9-7-6-8-11(13)12(2,3)4/h11,15H,5-9H2,1-4H3
InChIKeyMXKOSXWVKNLLMW-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.09
Rot. Bonds2

About 2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile

2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile (PubChem CID 43115118) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile
PubChem CID43115118
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCCC1C(C)(C)C
InChIInChI=1S/C13H24N2/c1-5-15-13(10-14)9-7-6-8-11(13)12(2,3)4/h11,15H,5-9H2,1-4H3
InChIKeyMXKOSXWVKNLLMW-UHFFFAOYSA-N
XLogP3.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565774
1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
CID 65045168
2-(2-tert-butyl-1-hydroxycyclohexyl)acetonitrile
CID 79118971
2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79576704
4-tert-butylspiro[4.4]nonane
CID 140778111
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829
2-methyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115025
1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile
CID 61023996
3-(ethylamino)-4-methylthiolane-3-carbonitrile
CID 130520007
1-(ethylamino)-2-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565185
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79628775
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile (CID 43115118) is 2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile?
The InChIKey is MXKOSXWVKNLLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-15-13(10-14)9-7-6-8-11(13)12(2,3)4/h11,15H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile?
2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile has a molecular weight of 208.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43115118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).