2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile

C14H29N3 — CID 64726500

IUPAC2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile
SMILESCNC(C)(C#N)CC(C)N(CC(C)C)C(C)C
InChIInChI=1S/C14H29N3/c1-11(2)9-17(12(3)4)13(5)8-14(6,10-15)16-7/h11-13,16H,8-9H2,1-7H3
InChIKeyZIJAASHTVYXRSL-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.63
Rot. Bonds7

About 2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile

2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile (PubChem CID 64726500) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile
PubChem CID64726500
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile
SMILESCNC(C)(C#N)CC(C)N(CC(C)C)C(C)C
InChIInChI=1S/C14H29N3/c1-11(2)9-17(12(3)4)13(5)8-14(6,10-15)16-7/h11-13,16H,8-9H2,1-7H3
InChIKeyZIJAASHTVYXRSL-UHFFFAOYSA-N
XLogP2.63
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile (CID 64726500) is 2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile is CNC(C)(C#N)CC(C)N(CC(C)C)C(C)C.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile?
The InChIKey is ZIJAASHTVYXRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-11(2)9-17(12(3)4)13(5)8-14(6,10-15)16-7/h11-13,16H,8-9H2,1-7H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile?
2-methyl-2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]pentanenitrile has a molecular weight of 239.41 g/mol, XLogP of 2.63, 7 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-[2-methylpropyl(propan-2-yl)amino]pentanenitrile is sourced from PubChem (CID 64726500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).