3,4-di(propan-2-yl)-1,4-oxazepane

C11H23NO — CID 123714088

IUPAC3,4-di(propan-2-yl)-1,4-oxazepane
SMILESCC(C)C1COCCCN1C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)11-8-13-7-5-6-12(11)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyRQLKAEKOSSKQNV-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds2

About 3,4-di(propan-2-yl)-1,4-oxazepane

3,4-di(propan-2-yl)-1,4-oxazepane (PubChem CID 123714088) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,4-oxazepane
PubChem CID123714088
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3,4-di(propan-2-yl)-1,4-oxazepane
SMILESCC(C)C1COCCCN1C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)11-8-13-7-5-6-12(11)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyRQLKAEKOSSKQNV-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-di(propan-2-yl)-1,3-oxazolidine
CID 58916313
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone
CID 176594391
1,2-di(propan-2-yl)azocane
CID 134605032
3-propan-2-ylmorpholin-4-amine
CID 139481261
3,4-di(propan-2-yl)-1,3-oxazinane
CID 146614615
3-fluoro-4-propan-2-ylmorpholine
CID 141026156
4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine
CID 130952021
N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161
2-(3-methyl-1,4-oxazepan-4-yl)propanamide
CID 130943361
(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 140959044

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,4-oxazepane?
The IUPAC name of 3,4-di(propan-2-yl)-1,4-oxazepane (CID 123714088) is 3,4-di(propan-2-yl)-1,4-oxazepane.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,4-oxazepane?
The canonical SMILES for 3,4-di(propan-2-yl)-1,4-oxazepane is CC(C)C1COCCCN1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,4-oxazepane?
The InChIKey is RQLKAEKOSSKQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)11-8-13-7-5-6-12(11)10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,4-oxazepane?
3,4-di(propan-2-yl)-1,4-oxazepane has a molecular weight of 185.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,4-oxazepane is sourced from PubChem (CID 123714088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).