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

C14H26N2O — CID 62262395

IUPACN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CNCC)CCOC1
InChIInChI=1S/C14H26N2O/c1-4-8-16(9-5-2)12-14(11-15-6-3)7-10-17-13-14/h4-5,15H,1-2,6-13H2,3H3
InChIKeyQPAOCZRJAWHKIW-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.68
Rot. Bonds9

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

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 62262395) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID62262395
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CNCC)CCOC1
InChIInChI=1S/C14H26N2O/c1-4-8-16(9-5-2)12-14(11-15-6-3)7-10-17-13-14/h4-5,15H,1-2,6-13H2,3H3
InChIKeyQPAOCZRJAWHKIW-UHFFFAOYSA-N
XLogP1.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.68
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)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 62262395) is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1(CNCC)CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is QPAOCZRJAWHKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-8-16(9-5-2)12-14(11-15-6-3)7-10-17-13-14/h4-5,15H,1-2,6-13H2,3H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 238.37 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 62262395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).