6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane

C9H20N2O2 — CID 143680577

IUPAC6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane
SMILESCC.CN1CC(CN)COCC1=O
InChIInChI=1S/C7H14N2O2.C2H6/c1-9-3-6(2-8)4-11-5-7(9)10;1-2/h6H,2-5,8H2,1H3;1-2H3
InChIKeyLLRARDPRYGTIQQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.08
Rot. Bonds1

About 6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane

6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane (PubChem CID 143680577) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane.

Molecular Properties

Compound Name6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane
PubChem CID143680577
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane
SMILESCC.CN1CC(CN)COCC1=O
InChIInChI=1S/C7H14N2O2.C2H6/c1-9-3-6(2-8)4-11-5-7(9)10;1-2/h6H,2-5,8H2,1H3;1-2H3
InChIKeyLLRARDPRYGTIQQ-UHFFFAOYSA-N
XLogP0.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride
CID 75531174
5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
CID 115102568
5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
CID 115102651
5-(aminomethyl)-1-methyl-1,3-diazinan-2-one
CID 83694375
4-amino-1-methylpyrrolidin-2-one;ethane
CID 145355415
1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone
CID 164818419
(9aR)-8-methyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 58439173
5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115102750
5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one
CID 117002200
5-(aminomethyl)-2-methyldiazinan-3-one
CID 84648864
4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
CID 168659236
6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115103056

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane?
The IUPAC name of 6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane (CID 143680577) is 6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane.
What is the SMILES notation for 6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane?
The canonical SMILES for 6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane is CC.CN1CC(CN)COCC1=O.
What is the InChIKey of 6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane?
The InChIKey is LLRARDPRYGTIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C2H6/c1-9-3-6(2-8)4-11-5-7(9)10;1-2/h6H,2-5,8H2,1H3;1-2H3.
What are the key properties of 6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane?
6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane has a molecular weight of 188.27 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane is sourced from PubChem (CID 143680577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).