2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile

C13H27N3 — CID 64727498

IUPAC2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
SMILESCC(C)CC(C)N(C)C(C)CC(C)(N)C#N
InChIInChI=1S/C13H27N3/c1-10(2)7-11(3)16(6)12(4)8-13(5,15)9-14/h10-12H,7-8,15H2,1-6H3
InChIKeySRSPCBLXQUGMIL-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.37
Rot. Bonds6

About 2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile

2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile (PubChem CID 64727498) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
PubChem CID64727498
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
SMILESCC(C)CC(C)N(C)C(C)CC(C)(N)C#N
InChIInChI=1S/C13H27N3/c1-10(2)7-11(3)16(6)12(4)8-13(5,15)9-14/h10-12H,7-8,15H2,1-6H3
InChIKeySRSPCBLXQUGMIL-UHFFFAOYSA-N
XLogP2.37
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile (CID 64727498) is 2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile is CC(C)CC(C)N(C)C(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile?
The InChIKey is SRSPCBLXQUGMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-10(2)7-11(3)16(6)12(4)8-13(5,15)9-14/h10-12H,7-8,15H2,1-6H3.
What are the key properties of 2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile?
2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile has a molecular weight of 225.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile is sourced from PubChem (CID 64727498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).