2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine

C12H24N2 — CID 117266395

IUPAC2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CC1CCCN(CC)C1
InChIInChI=1S/C12H24N2/c1-4-14-7-5-6-12(10-14)8-11(2)9-13-3/h12-13H,2,4-10H2,1,3H3
InChIKeyDBFAIXNYNFLUTC-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds5

About 2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine

2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine (PubChem CID 117266395) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine
PubChem CID117266395
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CC1CCCN(CC)C1
InChIInChI=1S/C12H24N2/c1-4-14-7-5-6-12(10-14)8-11(2)9-13-3/h12-13H,2,4-10H2,1,3H3
InChIKeyDBFAIXNYNFLUTC-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[(1-ethylpiperidin-3-yl)methyl]but-3-enal
CID 117268741
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine
CID 117266391
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 83982976
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine
CID 60872237
N-methyl-2-(thian-4-ylmethyl)prop-2-en-1-amine
CID 117266304
N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 117266307
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
CID 106588399
N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069411
2-(1-ethylpiperidin-3-yl)acetonitrile
CID 83914081

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine (CID 117266395) is 2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine is C=C(CNC)CC1CCCN(CC)C1.
What is the InChIKey of 2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine?
The InChIKey is DBFAIXNYNFLUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-14-7-5-6-12(10-14)8-11(2)9-13-3/h12-13H,2,4-10H2,1,3H3.
What are the key properties of 2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine?
2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 117266395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).