2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile

C11H21N3 — CID 104655896

IUPAC2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile
SMILESC=CCCC(C)(C#N)NCCN(C)C
InChIInChI=1S/C11H21N3/c1-5-6-7-11(2,10-12)13-8-9-14(3)4/h5,13H,1,6-9H2,2-4H3
InChIKeyNAOLVGFJPJHBIA-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.39
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile

2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile (PubChem CID 104655896) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile
PubChem CID104655896
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile
SMILESC=CCCC(C)(C#N)NCCN(C)C
InChIInChI=1S/C11H21N3/c1-5-6-7-11(2,10-12)13-8-9-14(3)4/h5,13H,1,6-9H2,2-4H3
InChIKeyNAOLVGFJPJHBIA-UHFFFAOYSA-N
XLogP1.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(propan-2-ylamino)hex-5-enenitrile
CID 104655874
2-methyl-2-(prop-2-enylamino)pentanenitrile
CID 62354657
2-(cyclopentylamino)-2-methylhex-5-enenitrile
CID 104655926
2-(cycloheptylamino)-2-methylhex-5-enenitrile
CID 104655930
2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile
CID 114831859
2-hydroxy-2-methylhex-5-enenitrile
CID 22561336
2-[3-(dimethylamino)propylamino]-2-methylpropanenitrile
CID 28702603
2-methyl-2-(2-methylanilino)hex-5-enenitrile
CID 104655887
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
CID 62888834
2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)butanenitrile
CID 55258249
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanenitrile
CID 79849690
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 63007904

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile (CID 104655896) is 2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile is C=CCCC(C)(C#N)NCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile?
The InChIKey is NAOLVGFJPJHBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-7-11(2,10-12)13-8-9-14(3)4/h5,13H,1,6-9H2,2-4H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile?
2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile is sourced from PubChem (CID 104655896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).