N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

C13H24N2O — CID 63741894

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CN)CCCOC1
InChIInChI=1S/C13H24N2O/c1-3-7-15(8-4-2)11-13(10-14)6-5-9-16-12-13/h3-4H,1-2,5-12,14H2
InChIKeyQOMXWPHDHFPGTI-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.42
Rot. Bonds7

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 63741894) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID63741894
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CN)CCCOC1
InChIInChI=1S/C13H24N2O/c1-3-7-15(8-4-2)11-13(10-14)6-5-9-16-12-13/h3-4H,1-2,5-12,14H2
InChIKeyQOMXWPHDHFPGTI-UHFFFAOYSA-N
XLogP1.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 63741894) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1(CN)CCCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is QOMXWPHDHFPGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-7-15(8-4-2)11-13(10-14)6-5-9-16-12-13/h3-4H,1-2,5-12,14H2.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 63741894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).