3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine

C13H28N2O — CID 79172199

IUPAC3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCC1CN(C)CCO1
InChIInChI=1S/C13H28N2O/c1-5-13(6-2,7-3)14-10-12-11-15(4)8-9-16-12/h12,14H,5-11H2,1-4H3
InChIKeyALYWHJYMTAHVKC-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds6

About 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine

3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine (PubChem CID 79172199) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine
PubChem CID79172199
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCC1CN(C)CCO1
InChIInChI=1S/C13H28N2O/c1-5-13(6-2,7-3)14-10-12-11-15(4)8-9-16-12/h12,14H,5-11H2,1-4H3
InChIKeyALYWHJYMTAHVKC-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(4-methylmorpholin-2-yl)methylamino]propane-1,3-diol
CID 107865293
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 115616636
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
2,2,3-trimethyl-3-[(4-methylmorpholin-2-yl)methylamino]butanoic acid
CID 79182699
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine
CID 97045075
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
3-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 75356168
2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009171

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine (CID 79172199) is 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine is CCC(CC)(CC)NCC1CN(C)CCO1.
What is the InChIKey of 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine?
The InChIKey is ALYWHJYMTAHVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(6-2,7-3)14-10-12-11-15(4)8-9-16-12/h12,14H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine?
3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 79172199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).