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

C10H21N3 — CID 64727066

IUPAC2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile
SMILESCCCN(C)C(C)CC(C)(N)C#N
InChIInChI=1S/C10H21N3/c1-5-6-13(4)9(2)7-10(3,12)8-11/h9H,5-7,12H2,1-4H3
InChIKeyHFYKZJRSUQENPQ-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.35
Rot. Bonds5

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

2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile (PubChem CID 64727066) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile
PubChem CID64727066
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile
SMILESCCCN(C)C(C)CC(C)(N)C#N
InChIInChI=1S/C10H21N3/c1-5-6-13(4)9(2)7-10(3,12)8-11/h9H,5-7,12H2,1-4H3
InChIKeyHFYKZJRSUQENPQ-UHFFFAOYSA-N
XLogP1.35
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.35
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(propyl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile (CID 64727066) is 2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile is CCCN(C)C(C)CC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile?
The InChIKey is HFYKZJRSUQENPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-5-6-13(4)9(2)7-10(3,12)8-11/h9H,5-7,12H2,1-4H3.
What are the key properties of 2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile?
2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile has a molecular weight of 183.30 g/mol, XLogP of 1.35, 5 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(propyl)amino]pentanenitrile is sourced from PubChem (CID 64727066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).