N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine

C12H22N2 — CID 135265059

IUPACN-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine
SMILESC=CC[C@]1(CC/C=N/C)CCCNC1
InChIInChI=1S/C12H22N2/c1-3-6-12(7-4-9-13-2)8-5-10-14-11-12/h3,9,14H,1,4-8,10-11H2,2H3/b13-9+/t12-/m0/s1
InChIKeyJOWZOHMSNSSJQW-OQZOHAQUSA-N
MW194.32 g/mol
LogP2.41
Rot. Bonds5

About N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine

N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine (PubChem CID 135265059) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine.

Molecular Properties

Compound NameN-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine
PubChem CID135265059
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine
SMILESC=CC[C@]1(CC/C=N/C)CCCNC1
InChIInChI=1S/C12H22N2/c1-3-6-12(7-4-9-13-2)8-5-10-14-11-12/h3,9,14H,1,4-8,10-11H2,2H3/b13-9+/t12-/m0/s1
InChIKeyJOWZOHMSNSSJQW-OQZOHAQUSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine?
The IUPAC name of N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine (CID 135265059) is N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine.
What is the SMILES notation for N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine?
The canonical SMILES for N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine is C=CC[C@]1(CC/C=N/C)CCCNC1.
What is the InChIKey of N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine?
The InChIKey is JOWZOHMSNSSJQW-OQZOHAQUSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-6-12(7-4-9-13-2)8-5-10-14-11-12/h3,9,14H,1,4-8,10-11H2,2H3/b13-9+/t12-/m0/s1.
What are the key properties of N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine?
N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine has a molecular weight of 194.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine is sourced from PubChem (CID 135265059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).