4-(azepan-2-ylmethyl)-3-methylmorpholine

C12H24N2O — CID 64569569

IUPAC4-(azepan-2-ylmethyl)-3-methylmorpholine
SMILESCC1COCCN1CC1CCCCCN1
InChIInChI=1S/C12H24N2O/c1-11-10-15-8-7-14(11)9-12-5-3-2-4-6-13-12/h11-13H,2-10H2,1H3
InChIKeyARTJNWUUQCTFLB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds2

About 4-(azepan-2-ylmethyl)-3-methylmorpholine

4-(azepan-2-ylmethyl)-3-methylmorpholine (PubChem CID 64569569) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(azepan-2-ylmethyl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(azepan-2-ylmethyl)-3-methylmorpholine
PubChem CID64569569
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(azepan-2-ylmethyl)-3-methylmorpholine
SMILESCC1COCCN1CC1CCCCCN1
InChIInChI=1S/C12H24N2O/c1-11-10-15-8-7-14(11)9-12-5-3-2-4-6-13-12/h11-13H,2-10H2,1H3
InChIKeyARTJNWUUQCTFLB-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]morpholine
CID 102819349
(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]morpholine
CID 124746471
2-methyl-1-(pyrrolidin-2-ylmethyl)piperidine;dihydrochloride
CID 56831768
3-methyl-4-(piperidin-3-ylmethyl)morpholine
CID 43542278
4-(pyrrolidin-2-ylmethyl)morpholine-3-carboxamide
CID 83096634
3-ethyl-4-(2-piperidin-2-ylethyl)morpholine
CID 43613282
N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-amine
CID 55093989
3-ethyl-4-(3-piperidin-2-ylpropyl)morpholine
CID 55048173
2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-one
CID 62613023
(3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine
CID 156519067
(2S,6R)-2,6-dimethyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141709
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-2-ylmethyl)-3-methylmorpholine?
The IUPAC name of 4-(azepan-2-ylmethyl)-3-methylmorpholine (CID 64569569) is 4-(azepan-2-ylmethyl)-3-methylmorpholine.
What is the SMILES notation for 4-(azepan-2-ylmethyl)-3-methylmorpholine?
The canonical SMILES for 4-(azepan-2-ylmethyl)-3-methylmorpholine is CC1COCCN1CC1CCCCCN1.
What is the InChIKey of 4-(azepan-2-ylmethyl)-3-methylmorpholine?
The InChIKey is ARTJNWUUQCTFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11-10-15-8-7-14(11)9-12-5-3-2-4-6-13-12/h11-13H,2-10H2,1H3.
What are the key properties of 4-(azepan-2-ylmethyl)-3-methylmorpholine?
4-(azepan-2-ylmethyl)-3-methylmorpholine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-2-ylmethyl)-3-methylmorpholine is sourced from PubChem (CID 64569569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).