2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one

C14H26N2O3 — CID 106593089

IUPAC2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCC(C(=O)N1CCOCC1CO)C1CCCC(N)C1
InChIInChI=1S/C14H26N2O3/c1-10(11-3-2-4-12(15)7-11)14(18)16-5-6-19-9-13(16)8-17/h10-13,17H,2-9,15H2,1H3
InChIKeySEKKZVQCCAUBQI-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.36
Rot. Bonds3

About 2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one

2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one (PubChem CID 106593089) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one
PubChem CID106593089
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCC(C(=O)N1CCOCC1CO)C1CCCC(N)C1
InChIInChI=1S/C14H26N2O3/c1-10(11-3-2-4-12(15)7-11)14(18)16-5-6-19-9-13(16)8-17/h10-13,17H,2-9,15H2,1H3
InChIKeySEKKZVQCCAUBQI-UHFFFAOYSA-N
XLogP0.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide
CID 106593033
2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one
CID 106593069
(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 104877390
N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide
CID 104877501
1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide
CID 106592610
2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
CID 106593039
[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 70650528
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 106592903
(5-amino-2,4-dimethylcyclohexyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 102706931
2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107217840
2-(azetidin-3-yl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107218055

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one (CID 106593089) is 2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one is CC(C(=O)N1CCOCC1CO)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The InChIKey is SEKKZVQCCAUBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(11-3-2-4-12(15)7-11)14(18)16-5-6-19-9-13(16)8-17/h10-13,17H,2-9,15H2,1H3.
What are the key properties of 2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one?
2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 106593089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).