3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile

C11H20N2 — CID 116931781

IUPAC3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile
SMILESCC(C)C(C#N)CC1CCN(C)C1
InChIInChI=1S/C11H20N2/c1-9(2)11(7-12)6-10-4-5-13(3)8-10/h9-11H,4-6,8H2,1-3H3
InChIKeyKRHZYLXJAXFDMN-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.12
Rot. Bonds3

About 3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile

3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile (PubChem CID 116931781) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile.

Molecular Properties

Compound Name3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile
PubChem CID116931781
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile
SMILESCC(C)C(C#N)CC1CCN(C)C1
InChIInChI=1S/C11H20N2/c1-9(2)11(7-12)6-10-4-5-13(3)8-10/h9-11H,4-6,8H2,1-3H3
InChIKeyKRHZYLXJAXFDMN-UHFFFAOYSA-N
XLogP2.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile
CID 142228000
3-methyl-2-[[2-(1-methylpiperidin-3-yl)ethylamino]methyl]butanenitrile
CID 115254668
1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine
CID 58283754
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
methyl 2-methyl-3-(1-methylpyrrolidin-3-yl)propanoate
CID 83980575
3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine
CID 83983005
2-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanenitrile
CID 63273995
2-amino-4-(1-methylpiperidin-4-yl)butanenitrile;ethane;molecular hydrogen
CID 142227898
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile?
The IUPAC name of 3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile (CID 116931781) is 3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile.
What is the SMILES notation for 3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile?
The canonical SMILES for 3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile is CC(C)C(C#N)CC1CCN(C)C1.
What is the InChIKey of 3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile?
The InChIKey is KRHZYLXJAXFDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)11(7-12)6-10-4-5-13(3)8-10/h9-11H,4-6,8H2,1-3H3.
What are the key properties of 3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile?
3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile is sourced from PubChem (CID 116931781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).