N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine

C13H26N2O — CID 103339377

IUPACN-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1(C)CCNCC1
InChIInChI=1S/C13H26N2O/c1-4-9-15(10-11-16-3)12-13(2)5-7-14-8-6-13/h4,14H,1,5-12H2,2-3H3
InChIKeyONYIWESYOVQCIX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.51
Rot. Bonds7

About N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine

N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine (PubChem CID 103339377) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine
PubChem CID103339377
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1(C)CCNCC1
InChIInChI=1S/C13H26N2O/c1-4-9-15(10-11-16-3)12-13(2)5-7-14-8-6-13/h4,14H,1,5-12H2,2-3H3
InChIKeyONYIWESYOVQCIX-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-methoxyethyl(prop-2-enyl)amino]methyl]cyclopentan-1-amine
CID 103339270
2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol
CID 120899797
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 103339364
4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine
CID 103339286
3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine
CID 63123220
2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide
CID 120898773
2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63143278
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
4-[[ethyl(2-methoxyethyl)amino]methyl]piperidin-4-ol
CID 62221152
4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-methylpiperidine;hydrochloride
CID 120719916
N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
CID 103339366
N-ethyl-2-methoxy-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129662

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine (CID 103339377) is N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine is C=CCN(CCOC)CC1(C)CCNCC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is ONYIWESYOVQCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-9-15(10-11-16-3)12-13(2)5-7-14-8-6-13/h4,14H,1,5-12H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine?
N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103339377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).