3-(dimethylamino)-2-ethylpentanenitrile

C9H18N2 — CID 116913659

IUPAC3-(dimethylamino)-2-ethylpentanenitrile
SMILESCCC(C#N)C(CC)N(C)C
InChIInChI=1S/C9H18N2/c1-5-8(7-10)9(6-2)11(3)4/h8-9H,5-6H2,1-4H3
InChIKeyDSTOMRDZNNWBAK-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.88
Rot. Bonds4

About 3-(dimethylamino)-2-ethylpentanenitrile

3-(dimethylamino)-2-ethylpentanenitrile (PubChem CID 116913659) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-(dimethylamino)-2-ethylpentanenitrile.

Molecular Properties

Compound Name3-(dimethylamino)-2-ethylpentanenitrile
PubChem CID116913659
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-(dimethylamino)-2-ethylpentanenitrile
SMILESCCC(C#N)C(CC)N(C)C
InChIInChI=1S/C9H18N2/c1-5-8(7-10)9(6-2)11(3)4/h8-9H,5-6H2,1-4H3
InChIKeyDSTOMRDZNNWBAK-UHFFFAOYSA-N
XLogP1.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-1-methylpiperidine-2-carbonitrile
CID 12581464
2-[[Cycloheptyl(methyl)amino]methyl]pentanedinitrile
CID 45801134
1-(tert-Butyl)-2-cyano-3-methyl-piperidine
CID 596551
4-[4-Cyanobutan-2-yl-(1,5-dicyano-3-methylpentan-3-yl)amino]-4-methylheptanedinitrile
CID 9999006
5-Ethyl-1-methylpiperidine-2-carbonitrile
CID 85523369
2-Cyclohexyl-2-(diethylamino)acetonitrile
CID 12069856
Pentanenitrile, 5-(dimethylamino)-4-methyl-
CID 18629771
(2S)-2-[bis(cyanomethyl)amino]-3-methylpentanenitrile
CID 18664112
(2S)-2-[bis(cyanomethyl)amino]-4-methylpentanenitrile
CID 18664114
2,5-Bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile
CID 19591850
N,N,4-trimethylhexan-3-amine
CID 19987655
2-(Dimethylamino)cyclohexanecarbonitrile
CID 20031313

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-ethylpentanenitrile?
The IUPAC name of 3-(dimethylamino)-2-ethylpentanenitrile (CID 116913659) is 3-(dimethylamino)-2-ethylpentanenitrile.
What is the SMILES notation for 3-(dimethylamino)-2-ethylpentanenitrile?
The canonical SMILES for 3-(dimethylamino)-2-ethylpentanenitrile is CCC(C#N)C(CC)N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-ethylpentanenitrile?
The InChIKey is DSTOMRDZNNWBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-8(7-10)9(6-2)11(3)4/h8-9H,5-6H2,1-4H3.
What are the key properties of 3-(dimethylamino)-2-ethylpentanenitrile?
3-(dimethylamino)-2-ethylpentanenitrile has a molecular weight of 154.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-ethylpentanenitrile is sourced from PubChem (CID 116913659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).