4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile

C13H24N2 — CID 65251709

IUPAC4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile
SMILESCCN(CCC(C)(C)C#N)C1CCCC1
InChIInChI=1S/C13H24N2/c1-4-15(12-7-5-6-8-12)10-9-13(2,3)11-14/h12H,4-10H2,1-3H3
InChIKeySPAFBXKTNAHMSI-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.19
Rot. Bonds5

About 4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile

4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile (PubChem CID 65251709) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile
PubChem CID65251709
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile
SMILESCCN(CCC(C)(C)C#N)C1CCCC1
InChIInChI=1S/C13H24N2/c1-4-15(12-7-5-6-8-12)10-9-13(2,3)11-14/h12H,4-10H2,1-3H3
InChIKeySPAFBXKTNAHMSI-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile
CID 102848297
1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
CID 64677718
5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
CID 65255331
5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
CID 65257781
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248233
4-[cyclopentyl(ethyl)amino]-2-methyl-2-(methylamino)butan-1-ol
CID 64797056
4-[azepan-4-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 107173206
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314
N,N-diethylcycloundecanamine
CID 163828609
4-[cyclohexyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64798397
N-but-3-ynyl-N-ethylcyclopentanamine
CID 63657034

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile (CID 65251709) is 4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile is CCN(CCC(C)(C)C#N)C1CCCC1.
What is the InChIKey of 4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile?
The InChIKey is SPAFBXKTNAHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-15(12-7-5-6-8-12)10-9-13(2,3)11-14/h12H,4-10H2,1-3H3.
What are the key properties of 4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile?
4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65251709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).