2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile

C14H22N4 — CID 64726284

IUPAC2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile
SMILESCC(CC(C)(N)C#N)N(C)CCc1ccncc1
InChIInChI=1S/C14H22N4/c1-12(10-14(2,16)11-15)18(3)9-6-13-4-7-17-8-5-13/h4-5,7-8,12H,6,9-10,16H2,1-3H3
InChIKeyIQMHFVVSHNGOMU-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.58
Rot. Bonds6

About 2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile

2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile (PubChem CID 64726284) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile
PubChem CID64726284
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile
SMILESCC(CC(C)(N)C#N)N(C)CCc1ccncc1
InChIInChI=1S/C14H22N4/c1-12(10-14(2,16)11-15)18(3)9-6-13-4-7-17-8-5-13/h4-5,7-8,12H,6,9-10,16H2,1-3H3
InChIKeyIQMHFVVSHNGOMU-UHFFFAOYSA-N
XLogP1.58
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
CID 64696510
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
CID 82282650
2-amino-4-[2-ethoxyethyl(methyl)amino]-2-methylpentanenitrile
CID 81062003
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 79812656
1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 55074145
1-N-ethyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pentane-1,4-diamine
CID 62428140
3-[methyl(2-pyridin-4-ylethyl)amino]pentanethioamide
CID 54945704
2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 22688898
1-N-cyclopentyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
CID 62568294
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
2-methoxy-5-[2-[methyl(2-pyridin-4-ylethyl)amino]propyl]aniline
CID 82256111

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile (CID 64726284) is 2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile is CC(CC(C)(N)C#N)N(C)CCc1ccncc1.
What is the InChIKey of 2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile?
The InChIKey is IQMHFVVSHNGOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12(10-14(2,16)11-15)18(3)9-6-13-4-7-17-8-5-13/h4-5,7-8,12H,6,9-10,16H2,1-3H3.
What are the key properties of 2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile?
2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile has a molecular weight of 246.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile is sourced from PubChem (CID 64726284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).