(2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone

C12H22N2O2 — CID 62777723

IUPAC(2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone
SMILESCC1CCCC(C(=O)N2CCOCC2)C1N
InChIInChI=1S/C12H22N2O2/c1-9-3-2-4-10(11(9)13)12(15)14-5-7-16-8-6-14/h9-11H,2-8,13H2,1H3
InChIKeyJKURBAPFTJKBSW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.61
Rot. Bonds1

About (2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone

(2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone (PubChem CID 62777723) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone
PubChem CID62777723
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone
SMILESCC1CCCC(C(=O)N2CCOCC2)C1N
InChIInChI=1S/C12H22N2O2/c1-9-3-2-4-10(11(9)13)12(15)14-5-7-16-8-6-14/h9-11H,2-8,13H2,1H3
InChIKeyJKURBAPFTJKBSW-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63175044
(2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone
CID 55116652
(2-amino-3-methylcyclohexyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 62994328
(2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63175042
(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112629284
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556
(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780403
(4-methylpyrrolidin-3-yl)-morpholin-4-ylmethanone
CID 63720609
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451
[(1R,6R)-6-[(3S,4R)-3,4-dimethylpiperidine-1-carbonyl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
CID 129430953
morpholin-4-yl-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125474305

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone (CID 62777723) is (2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone is CC1CCCC(C(=O)N2CCOCC2)C1N.
What is the InChIKey of (2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone?
The InChIKey is JKURBAPFTJKBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-3-2-4-10(11(9)13)12(15)14-5-7-16-8-6-14/h9-11H,2-8,13H2,1H3.
What are the key properties of (2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone?
(2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone has a molecular weight of 226.32 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 62777723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).