2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile

C14H26N4O — CID 88746446

IUPAC2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile
SMILESCC(C(C#N)COCC(C#N)C(C)N(C)C)N(C)C
InChIInChI=1S/C14H26N4O/c1-11(17(3)4)13(7-15)9-19-10-14(8-16)12(2)18(5)6/h11-14H,9-10H2,1-6H3
InChIKeyRQDBCDCXIJRDIX-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.18
Rot. Bonds8

About 2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile

2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile (PubChem CID 88746446) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile.

Molecular Properties

Compound Name2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile
PubChem CID88746446
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile
SMILESCC(C(C#N)COCC(C#N)C(C)N(C)C)N(C)C
InChIInChI=1S/C14H26N4O/c1-11(17(3)4)13(7-15)9-19-10-14(8-16)12(2)18(5)6/h11-14H,9-10H2,1-6H3
InChIKeyRQDBCDCXIJRDIX-UHFFFAOYSA-N
XLogP1.18
TPSA63.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylamino)-2-ethylpentanenitrile
CID 116913659
3-[1-methoxypropan-2-yl(methyl)amino]butanenitrile
CID 61451257
(5S)-5-bromo-4-methyl-2-propan-2-ylhexanenitrile
CID 166818389
2-ethyl-3-hydroxy-4-methylhexanenitrile
CID 79137275
2-ethyl-3-propan-2-yloxybutanenitrile
CID 138703203
3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile
CID 115254673
2-[(4-butan-2-ylphenyl)-(dimethylamino)methyl]butanenitrile
CID 116913691
3-chloro-2-[(3-chloro-2-cyanopropoxy)methyl]propanenitrile
CID 86616731
3-methyl-2-[[methyl(pentyl)amino]methyl]butanenitrile
CID 115254672
3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile
CID 54560247
2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254419
N,N-dimethylpropan-2-amine;ethane
CID 143195472

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile?
The IUPAC name of 2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile (CID 88746446) is 2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile.
What is the SMILES notation for 2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile?
The canonical SMILES for 2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile is CC(C(C#N)COCC(C#N)C(C)N(C)C)N(C)C.
What is the InChIKey of 2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile?
The InChIKey is RQDBCDCXIJRDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(17(3)4)13(7-15)9-19-10-14(8-16)12(2)18(5)6/h11-14H,9-10H2,1-6H3.
What are the key properties of 2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile?
2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile has a molecular weight of 266.39 g/mol, XLogP of 1.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyano-3-(dimethylamino)butoxy]methyl]-3-(dimethylamino)butanenitrile is sourced from PubChem (CID 88746446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).