3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile

C15H23N3 — CID 54988672

IUPAC3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ccccc1C(C)NC
InChIInChI=1S/C15H23N3/c1-5-18(11-12(2)10-16)15-9-7-6-8-14(15)13(3)17-4/h6-9,12-13,17H,5,11H2,1-4H3
InChIKeyOUJFYTGBHLWTDQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.95
Rot. Bonds6

About 3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile

3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile (PubChem CID 54988672) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile
PubChem CID54988672
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ccccc1C(C)NC
InChIInChI=1S/C15H23N3/c1-5-18(11-12(2)10-16)15-9-7-6-8-14(15)13(3)17-4/h6-9,12-13,17H,5,11H2,1-4H3
InChIKeyOUJFYTGBHLWTDQ-UHFFFAOYSA-N
XLogP2.95
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-ethyl-2-[1-(ethylamino)propyl]anilino]-2-methylpropanenitrile
CID 115995032
N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline
CID 43284716
2-bromo-6-[2-cyanopropyl(ethyl)amino]benzonitrile
CID 114880375
2-[1-(methylamino)ethyl]-N,N-bis(prop-2-enyl)aniline
CID 43283871
(E)-3-[2-[2-cyanopropyl(ethyl)amino]phenyl]prop-2-enoic acid
CID 54988726
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
CID 78935741
3-[ethyl-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]amino]-2-methylpropanenitrile
CID 114055957
3-[4-bromo-N-ethyl-2-[1-(methylamino)ethyl]anilino]propanenitrile
CID 82968144
2-[2-cyanopropyl(methyl)amino]benzonitrile
CID 60966613
3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 79841476
4-amino-3-[2-cyanopropyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 82899124
methyl 3-amino-4-[2-cyanopropyl(ethyl)amino]benzoate
CID 54988340

Frequently Asked Questions

What is the IUPAC name of 3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile?
The IUPAC name of 3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile (CID 54988672) is 3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile?
The canonical SMILES for 3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1ccccc1C(C)NC.
What is the InChIKey of 3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile?
The InChIKey is OUJFYTGBHLWTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-18(11-12(2)10-16)15-9-7-6-8-14(15)13(3)17-4/h6-9,12-13,17H,5,11H2,1-4H3.
What are the key properties of 3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile?
3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile has a molecular weight of 245.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-ethyl-2-[1-(methylamino)ethyl]anilino]-2-methylpropanenitrile is sourced from PubChem (CID 54988672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).