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

C15H28N2O — CID 55243012

IUPACN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CNCC)CCCOC1
InChIInChI=1S/C15H28N2O/c1-4-9-17(10-5-2)13-15(12-16-6-3)8-7-11-18-14-15/h4-5,16H,1-2,6-14H2,3H3
InChIKeyXUCUEFUSLPDOLC-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.07
Rot. Bonds9

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

N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 55243012) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID55243012
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CNCC)CCCOC1
InChIInChI=1S/C15H28N2O/c1-4-9-17(10-5-2)13-15(12-16-6-3)8-7-11-18-14-15/h4-5,16H,1-2,6-14H2,3H3
InChIKeyXUCUEFUSLPDOLC-UHFFFAOYSA-N
XLogP2.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 55243012) is N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1(CNCC)CCCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is XUCUEFUSLPDOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-9-17(10-5-2)13-15(12-16-6-3)8-7-11-18-14-15/h4-5,16H,1-2,6-14H2,3H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 55243012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).