4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine

C12H24N2O — CID 66246557

IUPAC4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine
SMILESC=C(C)CN(CC)CC1COCC1NC
InChIInChI=1S/C12H24N2O/c1-5-14(6-10(2)3)7-11-8-15-9-12(11)13-4/h11-13H,2,5-9H2,1,3-4H3
InChIKeyGFNDATQEMRBESI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.12
Rot. Bonds6

About 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine

4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine (PubChem CID 66246557) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine
PubChem CID66246557
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine
SMILESC=C(C)CN(CC)CC1COCC1NC
InChIInChI=1S/C12H24N2O/c1-5-14(6-10(2)3)7-11-8-15-9-12(11)13-4/h11-13H,2,5-9H2,1,3-4H3
InChIKeyGFNDATQEMRBESI-UHFFFAOYSA-N
XLogP1.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.12
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

2-methyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
CID 62331521
N-(2-methylidenebutyl)oxolan-3-amine
CID 80712888
(3R)-N-(2-methylprop-2-enyl)oxolan-3-amine
CID 163433163
(4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine
CID 166655033
4-[(Dipropylamino)methyl]oxolan-3-amine
CID 66235293
4-[[Ethyl(propyl)amino]methyl]oxolan-3-amine
CID 66235296
4-[[Propan-2-yl(propyl)amino]methyl]oxolan-3-amine
CID 66235297
4-[[Bis(2-methylpropyl)amino]methyl]oxolan-3-amine
CID 66235301
4-[[2-Methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine
CID 66235305
4-[[Methyl(propyl)amino]methyl]oxolan-3-amine
CID 66235498
4-[[Methyl(2-methylpropyl)amino]methyl]oxolan-3-amine
CID 66235499
4-[[Butan-2-yl(methyl)amino]methyl]oxolan-3-amine
CID 66235500

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine (CID 66246557) is 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine is C=C(C)CN(CC)CC1COCC1NC.
What is the InChIKey of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine?
The InChIKey is GFNDATQEMRBESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-14(6-10(2)3)7-11-8-15-9-12(11)13-4/h11-13H,2,5-9H2,1,3-4H3.
What are the key properties of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine?
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66246557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).