2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile

C11H23N3 — CID 63029263

IUPAC2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile
SMILESCCNC(C#N)CCN(CC)C(C)C
InChIInChI=1S/C11H23N3/c1-5-13-11(9-12)7-8-14(6-2)10(3)4/h10-11,13H,5-8H2,1-4H3
InChIKeyJPDVDJXWXNLYHE-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.61
Rot. Bonds7

About 2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile

2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile (PubChem CID 63029263) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile
PubChem CID63029263
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile
SMILESCCNC(C#N)CCN(CC)C(C)C
InChIInChI=1S/C11H23N3/c1-5-13-11(9-12)7-8-14(6-2)10(3)4/h10-11,13H,5-8H2,1-4H3
InChIKeyJPDVDJXWXNLYHE-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile
CID 63030258
4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile
CID 63700649
4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile
CID 63030043
4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)butanenitrile
CID 63029281
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butan-1-ol
CID 64797013
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(ethylamino)butanenitrile
CID 63028503
2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile
CID 63028489
2-(ethylamino)-4-propan-2-yloxybutanenitrile
CID 63029764
2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile
CID 79849960
1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 43265715
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)butanenitrile
CID 79183421
4-[bis(3-methylbutyl)amino]-2-(propylamino)butanenitrile
CID 107870915

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile?
The IUPAC name of 2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile (CID 63029263) is 2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile is CCNC(C#N)CCN(CC)C(C)C.
What is the InChIKey of 2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile?
The InChIKey is JPDVDJXWXNLYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-13-11(9-12)7-8-14(6-2)10(3)4/h10-11,13H,5-8H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile?
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile has a molecular weight of 197.33 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile is sourced from PubChem (CID 63029263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).