5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile

C14H29N3 — CID 113247973

IUPAC5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile
SMILESCCCN(CC)CCNCC(C)(C)CCC#N
InChIInChI=1S/C14H29N3/c1-5-11-17(6-2)12-10-16-13-14(3,4)8-7-9-15/h16H,5-8,10-13H2,1-4H3
InChIKeyCLDGQBQZTVQIMY-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.64
Rot. Bonds10

About 5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile

5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile (PubChem CID 113247973) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile
PubChem CID113247973
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile
SMILESCCCN(CC)CCNCC(C)(C)CCC#N
InChIInChI=1S/C14H29N3/c1-5-11-17(6-2)12-10-16-13-14(3,4)8-7-9-15/h16H,5-8,10-13H2,1-4H3
InChIKeyCLDGQBQZTVQIMY-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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-(2-ethylsulfonylethylamino)-4,4-dimethylpentanenitrile
CID 115653244
N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 62575989
4,4-dimethyl-5-(pent-3-ynylamino)pentanenitrile
CID 116642917
5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
CID 114133524
4,4-dimethyl-5-(4,4,4-trifluorobutylamino)pentanenitrile
CID 115664335
tert-butyl N-[2-[(4-cyano-2,2-dimethylbutyl)amino]ethyl]-N-methylcarbamate
CID 103698954
5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile
CID 115651171
3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylpropanamide
CID 115653050
4,4-dimethyl-5-(5-methylhexylamino)pentanenitrile
CID 115654451
5-(5-methoxypentylamino)-4,4-dimethylpentanenitrile
CID 115653005
5-[(2-ethyl-2-methylsulfanylbutyl)amino]-4,4-dimethylpentanenitrile
CID 103702172
N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62573813

Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile (CID 113247973) is 5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile is CCCN(CC)CCNCC(C)(C)CCC#N.
What is the InChIKey of 5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile?
The InChIKey is CLDGQBQZTVQIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-11-17(6-2)12-10-16-13-14(3,4)8-7-9-15/h16H,5-8,10-13H2,1-4H3.
What are the key properties of 5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile?
5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile has a molecular weight of 239.41 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[ethyl(propyl)amino]ethylamino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 113247973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).