2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride

C13H25ClN2O2 — CID 119751420

IUPAC2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride
SMILESCCC1CN(C(=O)CNCC2CC2)CC(C)O1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-3-12-9-15(8-10(2)17-12)13(16)7-14-6-11-4-5-11;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyKHVBPPFEDPVCQG-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.43
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride

2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride (PubChem CID 119751420) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride
PubChem CID119751420
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride
SMILESCCC1CN(C(=O)CNCC2CC2)CC(C)O1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-3-12-9-15(8-10(2)17-12)13(16)7-14-6-11-4-5-11;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyKHVBPPFEDPVCQG-UHFFFAOYSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride
CID 119751436
3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one
CID 119304810
1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone
CID 60687539
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119304817
(1-aminocyclopropyl)-(2-ethyl-6-methylmorpholin-4-yl)methanone;hydrochloride
CID 119751390
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(prop-2-enylamino)ethanone
CID 102932694
tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate
CID 135742569
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
(2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
CID 96516498
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119744228
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120789971
3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid
CID 43466609

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride (CID 119751420) is 2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride is CCC1CN(C(=O)CNCC2CC2)CC(C)O1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride?
The InChIKey is KHVBPPFEDPVCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-3-12-9-15(8-10(2)17-12)13(16)7-14-6-11-4-5-11;/h10-12,14H,3-9H2,1-2H3;1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride?
2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 119751420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).