N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine

C12H26N2O — CID 107891811

IUPACN-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine
SMILESCCCC(C)N1CCOCC1CNCC
InChIInChI=1S/C12H26N2O/c1-4-6-11(3)14-7-8-15-10-12(14)9-13-5-2/h11-13H,4-10H2,1-3H3
InChIKeyQJYWPANYSLDXAJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine

N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine (PubChem CID 107891811) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine
PubChem CID107891811
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine
SMILESCCCC(C)N1CCOCC1CNCC
InChIInChI=1S/C12H26N2O/c1-4-6-11(3)14-7-8-15-10-12(14)9-13-5-2/h11-13H,4-10H2,1-3H3
InChIKeyQJYWPANYSLDXAJ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine (CID 107891811) is N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine is CCCC(C)N1CCOCC1CNCC.
What is the InChIKey of N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine?
The InChIKey is QJYWPANYSLDXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-11(3)14-7-8-15-10-12(14)9-13-5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine?
N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pentan-2-ylmorpholin-3-yl)methyl]ethanamine is sourced from PubChem (CID 107891811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).