1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile

C12H21N3 — CID 115245215

IUPAC1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
SMILESCN1CCC(N(C)CC2(C#N)CCC2)C1
InChIInChI=1S/C12H21N3/c1-14-7-4-11(8-14)15(2)10-12(9-13)5-3-6-12/h11H,3-8,10H2,1-2H3
InChIKeyHQBTWOVFPFTMEE-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.32
Rot. Bonds3

About 1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile

1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile (PubChem CID 115245215) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
PubChem CID115245215
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
SMILESCN1CCC(N(C)CC2(C#N)CCC2)C1
InChIInChI=1S/C12H21N3/c1-14-7-4-11(8-14)15(2)10-12(9-13)5-3-6-12/h11H,3-8,10H2,1-2H3
InChIKeyHQBTWOVFPFTMEE-UHFFFAOYSA-N
XLogP1.32
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclopropyl)methyl]-N,1-dimethylpyrrolidin-3-amine
CID 115256600
1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentane-1-carbonitrile
CID 82120574
2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
CID 62548009
1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245097
1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242179
1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 115183296
2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile
CID 65493823
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820
4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]piperidin-4-ol
CID 62546239
3-[[cyclohexyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247936
1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile
CID 117039576

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile (CID 115245215) is 1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile is CN1CCC(N(C)CC2(C#N)CCC2)C1.
What is the InChIKey of 1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile?
The InChIKey is HQBTWOVFPFTMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-14-7-4-11(8-14)15(2)10-12(9-13)5-3-6-12/h11H,3-8,10H2,1-2H3.
What are the key properties of 1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile?
1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).