N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine

C12H24N2 — CID 115741609

IUPACN-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine
SMILESC=CCCCN(C)CC1CCCNC1
InChIInChI=1S/C12H24N2/c1-3-4-5-9-14(2)11-12-7-6-8-13-10-12/h3,12-13H,1,4-11H2,2H3
InChIKeyWDBVGECGWBYAFJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds6

About N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine

N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine (PubChem CID 115741609) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine
PubChem CID115741609
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine
SMILESC=CCCCN(C)CC1CCCNC1
InChIInChI=1S/C12H24N2/c1-3-4-5-9-14(2)11-12-7-6-8-13-10-12/h3,12-13H,1,4-11H2,2H3
InChIKeyWDBVGECGWBYAFJ-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-N-(piperidin-3-ylmethyl)pent-4-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

N-methyl-N-(piperidin-4-ylmethyl)pent-4-en-1-amine
CID 79716294
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723
N-(cyclobutylmethyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 62861568
2,2-dimethyl-5-[methyl(piperidin-3-ylmethyl)amino]pentanenitrile
CID 106636578
N-methyl-3-methylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 104870274
N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine
CID 122555830
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 115741590
N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209752
2-(2-methoxyethoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636684
1-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)methanamine
CID 62860068

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine (CID 115741609) is N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine is C=CCCCN(C)CC1CCCNC1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine?
The InChIKey is WDBVGECGWBYAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-4-5-9-14(2)11-12-7-6-8-13-10-12/h3,12-13H,1,4-11H2,2H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine?
N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine is sourced from PubChem (CID 115741609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).