2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile

C10H20N2 — CID 60925665

IUPAC2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile
SMILESCCC(C#N)(NC(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-6-10(7-11,8(2)3)12-9(4)5/h8-9,12H,6H2,1-5H3
InChIKeyHLHSMXSROCVXJF-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.31
Rot. Bonds4

About 2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile

2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile (PubChem CID 60925665) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile
PubChem CID60925665
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile
SMILESCCC(C#N)(NC(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-6-10(7-11,8(2)3)12-9(4)5/h8-9,12H,6H2,1-5H3
InChIKeyHLHSMXSROCVXJF-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-methyl-2-(2,2,2-trifluoroethylamino)butanenitrile
CID 60999121
2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile
CID 60986969
2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile
CID 60915967
2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile
CID 54886890
2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile
CID 141254263
4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727261
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
2-(diethylamino)-2,3-dimethylbutanenitrile
CID 43802750
2-ethyl-5-(2-hydroxyethylsulfanyl)-2-(propan-2-ylamino)pentanenitrile
CID 106805056
2,2-dimethylbutanenitrile;ethane
CID 144998313

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile (CID 60925665) is 2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile is CCC(C#N)(NC(C)C)C(C)C.
What is the InChIKey of 2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile?
The InChIKey is HLHSMXSROCVXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-10(7-11,8(2)3)12-9(4)5/h8-9,12H,6H2,1-5H3.
What are the key properties of 2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile?
2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 60925665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).