(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone

C13H24N2O2 — CID 113246114

IUPAC(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone
SMILESCC1(C)CCCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2)4-3-6-14(7-5-13)12(16)15-8-10-17-11-9-15/h3-11H2,1-2H3
InChIKeyDVPJLICAOWSEIT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.95
Rot. Bonds

About (4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone

(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone (PubChem CID 113246114) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone
PubChem CID113246114
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone
SMILESCC1(C)CCCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2)4-3-6-14(7-5-13)12(16)15-8-10-17-11-9-15/h3-11H2,1-2H3
InChIKeyDVPJLICAOWSEIT-UHFFFAOYSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid
CID 65282177
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
3-methyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63148214
4-(4,4-dimethylazepane-1-carbonyl)oxane-4-carbothioamide
CID 65281063
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
CID 63127462
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
CID 154703363
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide
CID 115660921
1-(4,4-dimethylazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 65281989
morpholin-4-yl-[(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone
CID 712034
2-chloroacetyl chloride;dimorpholin-4-ylmethanone
CID 174889845
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone (CID 113246114) is (4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone is CC1(C)CCCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of (4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone?
The InChIKey is DVPJLICAOWSEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2)4-3-6-14(7-5-13)12(16)15-8-10-17-11-9-15/h3-11H2,1-2H3.
What are the key properties of (4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone?
(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone has a molecular weight of 240.35 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 113246114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).