2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile

C13H27N3 — CID 61005955

IUPAC2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile
SMILESCCN(CC)CCNC(C)(C#N)CC(C)C
InChIInChI=1S/C13H27N3/c1-6-16(7-2)9-8-15-13(5,11-14)10-12(3)4/h12,15H,6-10H2,1-5H3
InChIKeyAJWLQXGGYMGSRX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.25
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile

2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile (PubChem CID 61005955) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile
PubChem CID61005955
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile
SMILESCCN(CC)CCNC(C)(C#N)CC(C)C
InChIInChI=1S/C13H27N3/c1-6-16(7-2)9-8-15-13(5,11-14)10-12(3)4/h12,15H,6-10H2,1-5H3
InChIKeyAJWLQXGGYMGSRX-UHFFFAOYSA-N
XLogP2.25
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile
CID 61005954
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64727667
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile
CID 64727095
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 102996424
2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile
CID 61324357
4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 107870928
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64726523
2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile
CID 61005347
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 107401005
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64698958

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile (CID 61005955) is 2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile is CCN(CC)CCNC(C)(C#N)CC(C)C.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile?
The InChIKey is AJWLQXGGYMGSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-6-16(7-2)9-8-15-13(5,11-14)10-12(3)4/h12,15H,6-10H2,1-5H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile?
2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile has a molecular weight of 225.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile is sourced from PubChem (CID 61005955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).