N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine

C13H27N3O2 — CID 153390440

IUPACN-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCC1CN(CCOCCNC)CCO1
InChIInChI=1S/C13H27N3O2/c1-12(2)15-10-13-11-16(6-9-18-13)5-8-17-7-4-14-3/h13-15H,1,4-11H2,2-3H3
InChIKeyOISZRZYIZDLVTQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.05
Rot. Bonds9

About N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine

N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine (PubChem CID 153390440) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine
PubChem CID153390440
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCC1CN(CCOCCNC)CCO1
InChIInChI=1S/C13H27N3O2/c1-12(2)15-10-13-11-16(6-9-18-13)5-8-17-7-4-14-3/h13-15H,1,4-11H2,2-3H3
InChIKeyOISZRZYIZDLVTQ-UHFFFAOYSA-N
XLogP0.05
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine?
The IUPAC name of N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine (CID 153390440) is N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine.
What is the SMILES notation for N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine?
The canonical SMILES for N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine is C=C(C)NCC1CN(CCOCCNC)CCO1.
What is the InChIKey of N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine?
The InChIKey is OISZRZYIZDLVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-12(2)15-10-13-11-16(6-9-18-13)5-8-17-7-4-14-3/h13-15H,1,4-11H2,2-3H3.
What are the key properties of N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine?
N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine has a molecular weight of 257.38 g/mol, XLogP of 0.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine is sourced from PubChem (CID 153390440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).