2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile

C11H21N3 — CID 130709605

IUPAC2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile
SMILESCC(C#N)C(C)NC1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-9(8-12)10(2)13-11-4-6-14(3)7-5-11/h9-11,13H,4-7H2,1-3H3
InChIKeyIOUZGJKIIIONBN-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.22
Rot. Bonds3

About 2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile

2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile (PubChem CID 130709605) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile
PubChem CID130709605
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile
SMILESCC(C#N)C(C)NC1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-9(8-12)10(2)13-11-4-6-14(3)7-5-11/h9-11,13H,4-7H2,1-3H3
InChIKeyIOUZGJKIIIONBN-UHFFFAOYSA-N
XLogP1.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
3-Methyl-2-(piperazin-1-yl)butanenitrile
CID 16227099
4-(Dimethylamino)piperidine-4-carbonitrile
CID 28279232
Methyl[(piperidin-4-yl)methyl](propan-2-yl)amine
CID 16767853
1-ethyl-N,3-dimethylpiperidin-4-amine
CID 54595021
4-Amino-1-methylpiperidine-3-carbonitrile
CID 105428068
rac-(3R,4S)-N,N,3-trimethylpiperidin-4-amine
CID 95352639
3-Cyano-4-aminopiperidine
CID 21761435
3-[3-(4-Methylpiperidin-1-yl)propylamino]propanenitrile
CID 44374011
N-(Piperidin-3-ylmethyl)propan-2-amine
CID 45791468
1-Butyl-2,5-dimethyl-4-(methylamino)piperidine
CID 3030418

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile?
The IUPAC name of 2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile (CID 130709605) is 2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile.
What is the SMILES notation for 2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile?
The canonical SMILES for 2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile is CC(C#N)C(C)NC1CCN(C)CC1.
What is the InChIKey of 2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile?
The InChIKey is IOUZGJKIIIONBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(8-12)10(2)13-11-4-6-14(3)7-5-11/h9-11,13H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile?
2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpiperidin-4-yl)amino]butanenitrile is sourced from PubChem (CID 130709605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).