2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile

C14H29N3 — CID 106803016

IUPAC2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile
SMILESCCCCCN(C)CCCC(C#N)(CC)NC
InChIInChI=1S/C14H29N3/c1-5-7-8-11-17(4)12-9-10-14(6-2,13-15)16-3/h16H,5-12H2,1-4H3
InChIKeyNBAGEGGNLDXOGW-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.78
Rot. Bonds10

About 2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile

2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile (PubChem CID 106803016) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile
PubChem CID106803016
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile
SMILESCCCCCN(C)CCCC(C#N)(CC)NC
InChIInChI=1S/C14H29N3/c1-5-7-8-11-17(4)12-9-10-14(6-2,13-15)16-3/h16H,5-12H2,1-4H3
InChIKeyNBAGEGGNLDXOGW-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802895
5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106803413
2-ethyl-2-(methylamino)-5-pentylsulfanylpentanenitrile
CID 107754893
5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106804057
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803471
2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile
CID 106803371
2-ethyl-2-(methylamino)butanenitrile
CID 43115036
2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
CID 106802943
2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 107400970
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile?
The IUPAC name of 2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile (CID 106803016) is 2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile is CCCCCN(C)CCCC(C#N)(CC)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile?
The InChIKey is NBAGEGGNLDXOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-7-8-11-17(4)12-9-10-14(6-2,13-15)16-3/h16H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile?
2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile has a molecular weight of 239.41 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile is sourced from PubChem (CID 106803016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).