4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane

C10H20N2O — CID 130855576

IUPAC4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane
SMILESCC1COCCN(CC2CCN2)C1
InChIInChI=1S/C10H20N2O/c1-9-6-12(4-5-13-8-9)7-10-2-3-11-10/h9-11H,2-8H2,1H3
InChIKeyGNKLZMLEPYFHCZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.32
Rot. Bonds2

About 4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane

4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane (PubChem CID 130855576) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane.

Molecular Properties

Compound Name4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane
PubChem CID130855576
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane
SMILESCC1COCCN(CC2CCN2)C1
InChIInChI=1S/C10H20N2O/c1-9-6-12(4-5-13-8-9)7-10-2-3-11-10/h9-11H,2-8H2,1H3
InChIKeyGNKLZMLEPYFHCZ-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane
CID 120848898
4-ethyl-6-methyl-1,4-oxazepane
CID 91104812
4-[(4-methylpiperidin-2-yl)methyl]morpholine
CID 114421101
2-(6-methyl-1,4-oxazepan-4-yl)acetic acid
CID 131059180
2-methyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 43199476
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
(3R)-3-methyl-1-[[(2R)-piperidin-2-yl]methyl]piperidine
CID 124748585
6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
CID 62824558
3-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]morpholine
CID 102819349
1-chloro-3-(6-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 130927583
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
2-(morpholin-4-ylmethyl)piperidine-4-carboxylic acid
CID 123313424

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane?
The IUPAC name of 4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane (CID 130855576) is 4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane.
What is the SMILES notation for 4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane?
The canonical SMILES for 4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane is CC1COCCN(CC2CCN2)C1.
What is the InChIKey of 4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane?
The InChIKey is GNKLZMLEPYFHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9-6-12(4-5-13-8-9)7-10-2-3-11-10/h9-11H,2-8H2,1H3.
What are the key properties of 4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane?
4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane has a molecular weight of 184.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane is sourced from PubChem (CID 130855576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).