N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine

C10H18N2 — CID 154927210

IUPACN-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine
SMILESCCC(/C=N/C)C1CC=CNC1
InChIInChI=1S/C10H18N2/c1-3-9(7-11-2)10-5-4-6-12-8-10/h4,6-7,9-10,12H,3,5,8H2,1-2H3/b11-7+
InChIKeyOSVBFAMBZRAOCW-YRNVUSSQSA-N
MW166.27 g/mol
LogP1.84
Rot. Bonds3

About N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine

N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine (PubChem CID 154927210) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine.

Molecular Properties

Compound NameN-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine
PubChem CID154927210
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine
SMILESCCC(/C=N/C)C1CC=CNC1
InChIInChI=1S/C10H18N2/c1-3-9(7-11-2)10-5-4-6-12-8-10/h4,6-7,9-10,12H,3,5,8H2,1-2H3/b11-7+
InChIKeyOSVBFAMBZRAOCW-YRNVUSSQSA-N
XLogP1.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine?
The IUPAC name of N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine (CID 154927210) is N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine.
What is the SMILES notation for N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine?
The canonical SMILES for N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine is CCC(/C=N/C)C1CC=CNC1.
What is the InChIKey of N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine?
The InChIKey is OSVBFAMBZRAOCW-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-9(7-11-2)10-5-4-6-12-8-10/h4,6-7,9-10,12H,3,5,8H2,1-2H3/b11-7+.
What are the key properties of N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine?
N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine has a molecular weight of 166.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine is sourced from PubChem (CID 154927210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).