2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile

C10H20N2 — CID 141254263

IUPAC2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile
SMILESCCNC(C#N)(C(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-6-12-10(7-11,8(2)3)9(4)5/h8-9,12H,6H2,1-5H3
InChIKeyXVYOTHNNXPLSSK-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.17
Rot. Bonds4

About 2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile

2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile (PubChem CID 141254263) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile
PubChem CID141254263
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile
SMILESCCNC(C#N)(C(C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-6-12-10(7-11,8(2)3)9(4)5/h8-9,12H,6H2,1-5H3
InChIKeyXVYOTHNNXPLSSK-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanenitrile
CID 107755000
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
2-(ethylamino)-2-propylpentanenitrile
CID 28899821
2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile
CID 66137296
2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile
CID 64709571
2-ethyl-3-methyl-2-(propan-2-ylamino)butanenitrile
CID 60925665
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile
CID 64726878
2-ethyl-3-methyl-2-(2,2,2-trifluoroethylamino)butanenitrile
CID 60999121
4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726891
N-ethyl-2-methyl-3-silylpentan-3-amine
CID 173064739
4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 107870928
4-butylsulfanyl-2-(ethylamino)-2-methylpentanenitrile
CID 64728234

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile?
The IUPAC name of 2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile (CID 141254263) is 2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile.
What is the SMILES notation for 2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile?
The canonical SMILES for 2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile is CCNC(C#N)(C(C)C)C(C)C.
What is the InChIKey of 2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile?
The InChIKey is XVYOTHNNXPLSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-12-10(7-11,8(2)3)9(4)5/h8-9,12H,6H2,1-5H3.
What are the key properties of 2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile?
2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile is sourced from PubChem (CID 141254263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).