1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine

C11H15N3 — CID 131209228

IUPAC1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1Cc1cc(C)ccn1
InChIInChI=1S/C11H15N3/c1-9-4-5-13-10(7-9)8-14-6-2-3-11(14)12/h4-5,7,12H,2-3,6,8H2,1H3/b12-11+
InChIKeyKVUMESPSTYNGJO-VAWYXSNFSA-N
MW189.26 g/mol
LogP1.96
Rot. Bonds2

About 1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine

1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine (PubChem CID 131209228) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine
PubChem CID131209228
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1Cc1cc(C)ccn1
InChIInChI=1S/C11H15N3/c1-9-4-5-13-10(7-9)8-14-6-2-3-11(14)12/h4-5,7,12H,2-3,6,8H2,1H3/b12-11+
InChIKeyKVUMESPSTYNGJO-VAWYXSNFSA-N
XLogP1.96
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-imine
CID 62307701
1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine
CID 64695514
N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine
CID 79244947
1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one
CID 79251120
1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine
CID 62881665
1-[2-(3-methylphenyl)ethyl]piperidin-2-imine
CID 62314831
4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine
CID 154769202
1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine
CID 62995548
1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine
CID 103007506
2-(2-iminopyrrolidin-1-yl)-1-(4-methylphenyl)ethanone bromide
CID 21203759
1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one
CID 123323957
1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine
CID 106007900

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine?
The IUPAC name of 1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine (CID 131209228) is 1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1Cc1cc(C)ccn1.
What is the InChIKey of 1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine?
The InChIKey is KVUMESPSTYNGJO-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H15N3/c1-9-4-5-13-10(7-9)8-14-6-2-3-11(14)12/h4-5,7,12H,2-3,6,8H2,1H3/b12-11+.
What are the key properties of 1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine?
1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine has a molecular weight of 189.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine is sourced from PubChem (CID 131209228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).