1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile

C11H18N2 — CID 164645978

IUPAC1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESCCC1(C)CN(CC2(C#N)CC2)C1
InChIInChI=1S/C11H18N2/c1-3-10(2)7-13(8-10)9-11(6-12)4-5-11/h3-5,7-9H2,1-2H3
InChIKeyCQEHZDYSAXMOEW-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.02
Rot. Bonds3

About 1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile

1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile (PubChem CID 164645978) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
PubChem CID164645978
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESCCC1(C)CN(CC2(C#N)CC2)C1
InChIInChI=1S/C11H18N2/c1-3-10(2)7-13(8-10)9-11(6-12)4-5-11/h3-5,7-9H2,1-2H3
InChIKeyCQEHZDYSAXMOEW-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile
CID 126539788
1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 126539994
1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 164645934
2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile
CID 62732365
1-ethylcyclopentane-1-carbonitrile
CID 12859571
2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile
CID 130693341
1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 131215800
1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile
CID 82503705
1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile
CID 82505181
3-(3-ethyl-3-methylazetidin-1-yl)-3-oxopropanenitrile
CID 130677992
1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile
CID 126983354
1-(cyanomethyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 10725971

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile (CID 164645978) is 1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile is CCC1(C)CN(CC2(C#N)CC2)C1.
What is the InChIKey of 1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is CQEHZDYSAXMOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10(2)7-13(8-10)9-11(6-12)4-5-11/h3-5,7-9H2,1-2H3.
What are the key properties of 1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 164645978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).