4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile

C11H23N3 — CID 63030043

IUPAC4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile
SMILESCCC(C)N(CC)CCC(C#N)NC
InChIInChI=1S/C11H23N3/c1-5-10(3)14(6-2)8-7-11(9-12)13-4/h10-11,13H,5-8H2,1-4H3
InChIKeyRKHYRPJJMWJSNL-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.61
Rot. Bonds7

About 4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile

4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile (PubChem CID 63030043) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile
PubChem CID63030043
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile
SMILESCCC(C)N(CC)CCC(C#N)NC
InChIInChI=1S/C11H23N3/c1-5-10(3)14(6-2)8-7-11(9-12)13-4/h10-11,13H,5-8H2,1-4H3
InChIKeyRKHYRPJJMWJSNL-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

5-methyl-2-(methylamino)hexanenitrile
CID 131187113
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile
CID 63029263
2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile
CID 63027745
2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile
CID 63030258
2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile
CID 81061828
4-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile
CID 79483822
4-(dicyclohexylamino)-2-(methylamino)butanenitrile
CID 63027303
N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 62559989
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile
CID 55144282
4-(N-ethyl-3-fluoroanilino)-2-(methylamino)butanenitrile
CID 63027932
1-amino-4-[butan-2-yl(ethyl)amino]butan-2-ol
CID 64821778
N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine
CID 62560910

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile?
The IUPAC name of 4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile (CID 63030043) is 4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile?
The canonical SMILES for 4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile is CCC(C)N(CC)CCC(C#N)NC.
What is the InChIKey of 4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile?
The InChIKey is RKHYRPJJMWJSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-10(3)14(6-2)8-7-11(9-12)13-4/h10-11,13H,5-8H2,1-4H3.
What are the key properties of 4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile?
4-[butan-2-yl(ethyl)amino]-2-(methylamino)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 4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile is sourced from PubChem (CID 63030043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).