5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile

C17H36N4 — CID 102996424

IUPAC5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN(CC)CCCN(CC)CC
InChIInChI=1S/C17H36N4/c1-6-19-17(5,16-18)12-10-13-21(9-4)15-11-14-20(7-2)8-3/h19H,6-15H2,1-5H3
InChIKeyJLMKLOBAJSWKBV-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.71
Rot. Bonds13

About 5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile

5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 102996424) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile
PubChem CID102996424
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN(CC)CCCN(CC)CC
InChIInChI=1S/C17H36N4/c1-6-19-17(5,16-18)12-10-13-21(9-4)15-11-14-20(7-2)8-3/h19H,6-15H2,1-5H3
InChIKeyJLMKLOBAJSWKBV-UHFFFAOYSA-N
XLogP2.71
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 107400976
2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
CID 116535435
4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 107870928
4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 82959910
5-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentanenitrile
CID 66225414
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
CID 102993281
5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 115672467
4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
CID 65248790
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile
CID 105416604
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314
2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile
CID 61005955

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile (CID 102996424) is 5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CCCN(CC)CCCN(CC)CC.
What is the InChIKey of 5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is JLMKLOBAJSWKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-6-19-17(5,16-18)12-10-13-21(9-4)15-11-14-20(7-2)8-3/h19H,6-15H2,1-5H3.
What are the key properties of 5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile?
5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 296.50 g/mol, XLogP of 2.71, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 102996424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).