N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine

C10H18N2 — CID 123907392

IUPACN-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
SMILESCC=C(/C=N/C)C1CCCN1C
InChIInChI=1S/C10H18N2/c1-4-9(8-11-2)10-6-5-7-12(10)3/h4,8,10H,5-7H2,1-3H3/b9-4?,11-8+
InChIKeyLGSAIOVYPXQSSX-ACZFZUQFSA-N
MW166.27 g/mol
LogP1.73
Rot. Bonds2

About N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine

N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine (PubChem CID 123907392) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
PubChem CID123907392
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
SMILESCC=C(/C=N/C)C1CCCN1C
InChIInChI=1S/C10H18N2/c1-4-9(8-11-2)10-6-5-7-12(10)3/h4,8,10H,5-7H2,1-3H3/b9-4?,11-8+
InChIKeyLGSAIOVYPXQSSX-ACZFZUQFSA-N
XLogP1.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Difluoromethyl)-5-(1-methylpyrrolidin-2-yl)-2,3-dihydropyridine
CID 89609670
5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine
CID 90658037
5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
CID 89056573
(2Z,4E)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]hexa-2,4-dien-1-imine
CID 89839679
5-(1-Methylpyrrolidin-3-yl)-2,3-dihydropyridine
CID 90789433
1-(Cyclohexen-1-ylmethylidene)pyrrolidin-1-ium
CID 123176271
(Z)-N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 134590337
(2Z,4E)-4-ethynyl-2-[(2S)-1-methylpyrrolidin-2-yl]hexa-2,4-dien-1-imine
CID 142237370
ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
CID 142878225
(Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine
CID 142970930
N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine
CID 143688606
N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]propan-1-imine
CID 143688607

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine?
The IUPAC name of N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine (CID 123907392) is N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine.
What is the SMILES notation for N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine?
The canonical SMILES for N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine is CC=C(/C=N/C)C1CCCN1C.
What is the InChIKey of N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine?
The InChIKey is LGSAIOVYPXQSSX-ACZFZUQFSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-9(8-11-2)10-6-5-7-12(10)3/h4,8,10H,5-7H2,1-3H3/b9-4?,11-8+.
What are the key properties of N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine?
N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine has a molecular weight of 166.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine is sourced from PubChem (CID 123907392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).