2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile

C11H23N3 — CID 64727068

IUPAC2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile
SMILESCCCN(C)C(C)CC(C)(C#N)NC
InChIInChI=1S/C11H23N3/c1-6-7-14(5)10(2)8-11(3,9-12)13-4/h10,13H,6-8H2,1-5H3
InChIKeyCOCYJSOQLNHAEY-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.61
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile

2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile (PubChem CID 64727068) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile
PubChem CID64727068
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile
SMILESCCCN(C)C(C)CC(C)(C#N)NC
InChIInChI=1S/C11H23N3/c1-6-7-14(5)10(2)8-11(3,9-12)13-4/h10,13H,6-8H2,1-5H3
InChIKeyCOCYJSOQLNHAEY-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanenitrile
CID 64726076
2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile
CID 64727066
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 64725508
4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 64726664
2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile
CID 64726500
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64726523
2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
CID 79858456
4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727261
2-methyl-2-(methylamino)-4-octoxypentanenitrile
CID 64728157
4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 64726084
4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile
CID 64698950

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile (CID 64727068) is 2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile is CCCN(C)C(C)CC(C)(C#N)NC.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile?
The InChIKey is COCYJSOQLNHAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-6-7-14(5)10(2)8-11(3,9-12)13-4/h10,13H,6-8H2,1-5H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile?
2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile has a molecular weight of 197.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile is sourced from PubChem (CID 64727068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).