2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine

C14H28N2O — CID 106588399

IUPAC2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCCC(COC)C1
InChIInChI=1S/C14H28N2O/c1-4-7-15-9-13(2)10-16-8-5-6-14(11-16)12-17-3/h14-15H,2,4-12H2,1,3H3
InChIKeyIJMQPEVNNUBYFZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.90
Rot. Bonds8

About 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine

2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine (PubChem CID 106588399) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
PubChem CID106588399
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCCC(COC)C1
InChIInChI=1S/C14H28N2O/c1-4-7-15-9-13(2)10-16-8-5-6-14(11-16)12-17-3/h14-15H,2,4-12H2,1,3H3
InChIKeyIJMQPEVNNUBYFZ-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-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

N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071251
1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392
N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide
CID 103197898
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106589331
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
2-[(4-methylsulfanylazepan-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 114237800
2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
CID 106588987
N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069411
N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069920
2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068925
[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069579
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine?
The IUPAC name of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine (CID 106588399) is 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine is C=C(CNCCC)CN1CCCC(COC)C1.
What is the InChIKey of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine?
The InChIKey is IJMQPEVNNUBYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-7-15-9-13(2)10-16-8-5-6-14(11-16)12-17-3/h14-15H,2,4-12H2,1,3H3.
What are the key properties of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine?
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine is sourced from PubChem (CID 106588399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).