2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile

C16H33N3 — CID 106803848

IUPAC2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile
SMILESCCC(CC)N(CCCC(N)(C#N)CC)CC(C)C
InChIInChI=1S/C16H33N3/c1-6-15(7-2)19(12-14(4)5)11-9-10-16(18,8-3)13-17/h14-15H,6-12,18H2,1-5H3
InChIKeyHYUSSIYGBAIWGE-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.54
Rot. Bonds10

About 2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile

2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile (PubChem CID 106803848) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile
PubChem CID106803848
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile
SMILESCCC(CC)N(CCCC(N)(C#N)CC)CC(C)C
InChIInChI=1S/C16H33N3/c1-6-15(7-2)19(12-14(4)5)11-9-10-16(18,8-3)13-17/h14-15H,6-12,18H2,1-5H3
InChIKeyHYUSSIYGBAIWGE-UHFFFAOYSA-N
XLogP3.54
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile
CID 106803370
2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
CID 106803332
2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile
CID 106803362
1-amino-2-methyl-5-[2-methylpropyl(pentan-3-yl)amino]pentan-2-ol
CID 79490065
2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile
CID 106803086
2-amino-2-ethyl-5-[ethyl(methyl)amino]pentanenitrile
CID 106802962
2-amino-4-[2-methylpropyl(pentan-3-yl)amino]butanenitrile
CID 79483167
2-amino-5-butan-2-yloxy-2-ethylpentanenitrile
CID 106804662
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
CID 106803273
5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine
CID 79483858
2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
CID 106803707

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile (CID 106803848) is 2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile is CCC(CC)N(CCCC(N)(C#N)CC)CC(C)C.
What is the InChIKey of 2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile?
The InChIKey is HYUSSIYGBAIWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-6-15(7-2)19(12-14(4)5)11-9-10-16(18,8-3)13-17/h14-15H,6-12,18H2,1-5H3.
What are the key properties of 2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile?
2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile has a molecular weight of 267.46 g/mol, XLogP of 3.54, 10 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-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile is sourced from PubChem (CID 106803848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).