3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine

C12H24N2O2 — CID 114466636

IUPAC3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine
SMILESC=C(C)COCCNC1(CN)CCOC1C
InChIInChI=1S/C12H24N2O2/c1-10(2)8-15-7-5-14-12(9-13)4-6-16-11(12)3/h11,14H,1,4-9,13H2,2-3H3
InChIKeyCXUIGQFESUTUFC-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.68
Rot. Bonds7

About 3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine

3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine (PubChem CID 114466636) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine
PubChem CID114466636
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine
SMILESC=C(C)COCCNC1(CN)CCOC1C
InChIInChI=1S/C12H24N2O2/c1-10(2)8-15-7-5-14-12(9-13)4-6-16-11(12)3/h11,14H,1,4-9,13H2,2-3H3
InChIKeyCXUIGQFESUTUFC-UHFFFAOYSA-N
XLogP0.68
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine (CID 114466636) is 3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine is C=C(C)COCCNC1(CN)CCOC1C.
What is the InChIKey of 3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine?
The InChIKey is CXUIGQFESUTUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)8-15-7-5-14-12(9-13)4-6-16-11(12)3/h11,14H,1,4-9,13H2,2-3H3.
What are the key properties of 3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine?
3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine has a molecular weight of 228.34 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine is sourced from PubChem (CID 114466636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).