N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine

C12H24N2O2 — CID 103339453

IUPACN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CCC(CN)O1
InChIInChI=1S/C12H24N2O2/c1-3-6-14(7-8-15-2)10-12-5-4-11(9-13)16-12/h3,11-12H,1,4-10,13H2,2H3
InChIKeyGBGFETYPSVBUCN-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.63
Rot. Bonds8

About N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine

N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 103339453) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
PubChem CID103339453
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CCC(CN)O1
InChIInChI=1S/C12H24N2O2/c1-3-6-14(7-8-15-2)10-12-5-4-11(9-13)16-12/h3,11-12H,1,4-10,13H2,2H3
InChIKeyGBGFETYPSVBUCN-UHFFFAOYSA-N
XLogP0.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 103339364
N'-(2-methoxyethyl)-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine
CID 103133649
N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
CID 103339366
1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 103339269
2-cyclopropyl-1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 103339370
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103339279
N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339375
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62437687
2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine
CID 103340388
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
CID 103339487
N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 103339373

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine (CID 103339453) is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine is C=CCN(CCOC)CC1CCC(CN)O1.
What is the InChIKey of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is GBGFETYPSVBUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-6-14(7-8-15-2)10-12-5-4-11(9-13)16-12/h3,11-12H,1,4-10,13H2,2H3.
What are the key properties of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine?
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 228.34 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 103339453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).