N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine

C14H28N2O — CID 62418406

IUPACN-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1CCC(CNCC)O1
InChIInChI=1S/C14H28N2O/c1-5-15-9-13-7-8-14(17-13)11-16(6-2)10-12(3)4/h13-15H,3,5-11H2,1-2,4H3
InChIKeyRBAOQZVNHITICR-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds8

About N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine

N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine (PubChem CID 62418406) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine
PubChem CID62418406
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1CCC(CNCC)O1
InChIInChI=1S/C14H28N2O/c1-5-15-9-13-7-8-14(17-13)11-16(6-2)10-12(3)4/h13-15H,3,5-11H2,1-2,4H3
InChIKeyRBAOQZVNHITICR-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
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-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine (CID 62418406) is N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine is C=C(C)CN(CC)CC1CCC(CNCC)O1.
What is the InChIKey of N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine?
The InChIKey is RBAOQZVNHITICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-15-9-13-7-8-14(17-13)11-16(6-2)10-12(3)4/h13-15H,3,5-11H2,1-2,4H3.
What are the key properties of N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine?
N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 62418406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).