2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile

C14H19N3 — CID 65494657

IUPAC2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN(CCc1ccccn1)CC1(CC#N)CC1
InChIInChI=1S/C14H19N3/c1-17(12-14(6-7-14)8-9-15)11-5-13-4-2-3-10-16-13/h2-4,10H,5-8,11-12H2,1H3
InChIKeyVEQAQVJFOXTWMH-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.25
Rot. Bonds6

About 2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65494657) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65494657
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN(CCc1ccccn1)CC1(CC#N)CC1
InChIInChI=1S/C14H19N3/c1-17(12-14(6-7-14)8-9-15)11-5-13-4-2-3-10-16-13/h2-4,10H,5-8,11-12H2,1H3
InChIKeyVEQAQVJFOXTWMH-UHFFFAOYSA-N
XLogP2.25
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 65479518
1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-ol
CID 65212670
4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-4-ol
CID 55048388
1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62276380
2-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-amine
CID 82768381
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
2-[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclopropyl]acetonitrile
CID 65495276
N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-pyridin-2-ylethanamine
CID 91831202
4-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]oxolan-3-amine
CID 66264619
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
2,2-dimethyl-5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-ol
CID 79856114

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile (CID 65494657) is 2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile is CN(CCc1ccccn1)CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is VEQAQVJFOXTWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17(12-14(6-7-14)8-9-15)11-5-13-4-2-3-10-16-13/h2-4,10H,5-8,11-12H2,1H3.
What are the key properties of 2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65494657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).