2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile

C13H27N3 — CID 106803086

IUPAC2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile
SMILESCCCC(C)N(C)CCCC(N)(C#N)CC
InChIInChI=1S/C13H27N3/c1-5-8-12(3)16(4)10-7-9-13(15,6-2)11-14/h12H,5-10,15H2,1-4H3
InChIKeyKWEANMSPMMCJCX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.52
Rot. Bonds8

About 2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile

2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile (PubChem CID 106803086) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile
PubChem CID106803086
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile
SMILESCCCC(C)N(C)CCCC(N)(C#N)CC
InChIInChI=1S/C13H27N3/c1-5-8-12(3)16(4)10-7-9-13(15,6-2)11-14/h12H,5-10,15H2,1-4H3
InChIKeyKWEANMSPMMCJCX-UHFFFAOYSA-N
XLogP2.52
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
CID 106803332
2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile
CID 106803370
2-amino-2-ethyl-5-[ethyl(methyl)amino]pentanenitrile
CID 106802962
N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine
CID 65254460
2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile
CID 106803848
N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 43571779
2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile
CID 106803362
N'-methyl-N'-pentan-2-ylhexane-1,6-diamine
CID 43572239
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
CID 106803367
2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
CID 106803273
2-amino-5-butan-2-yloxy-2-ethylpentanenitrile
CID 106804662
N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine
CID 123310682

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile (CID 106803086) is 2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile is CCCC(C)N(C)CCCC(N)(C#N)CC.
What is the InChIKey of 2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile?
The InChIKey is KWEANMSPMMCJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-8-12(3)16(4)10-7-9-13(15,6-2)11-14/h12H,5-10,15H2,1-4H3.
What are the key properties of 2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile?
2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile has a molecular weight of 225.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile is sourced from PubChem (CID 106803086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).