2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile

C13H25N3 — CID 106803707

IUPAC2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
SMILESCCN(CCCC(N)(C#N)CC)CC1CC1
InChIInChI=1S/C13H25N3/c1-3-13(15,11-14)8-5-9-16(4-2)10-12-6-7-12/h12H,3-10,15H2,1-2H3
InChIKeyHLEOZOYDFXWGPY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.13
Rot. Bonds8

About 2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile

2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile (PubChem CID 106803707) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile.

Molecular Properties

Compound Name2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
PubChem CID106803707
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
SMILESCCN(CCCC(N)(C#N)CC)CC1CC1
InChIInChI=1S/C13H25N3/c1-3-13(15,11-14)8-5-9-16(4-2)10-12-6-7-12/h12H,3-10,15H2,1-2H3
InChIKeyHLEOZOYDFXWGPY-UHFFFAOYSA-N
XLogP2.13
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile
CID 106803362
5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 107400970
2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
CID 106803273
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
CID 106803367
2-amino-2-ethyl-5-[ethyl(methyl)amino]pentanenitrile
CID 106802962
2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
CID 106803889
5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 107400976
2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
CID 106803671
N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine
CID 115873081
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 63955060
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64789438
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylpentane-1,5-diamine
CID 65254511

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile?
The IUPAC name of 2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile (CID 106803707) is 2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile.
What is the SMILES notation for 2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile?
The canonical SMILES for 2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile is CCN(CCCC(N)(C#N)CC)CC1CC1.
What is the InChIKey of 2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile?
The InChIKey is HLEOZOYDFXWGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-13(15,11-14)8-5-9-16(4-2)10-12-6-7-12/h12H,3-10,15H2,1-2H3.
What are the key properties of 2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile?
2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile is sourced from PubChem (CID 106803707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).