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

C10H21NO — CID 146614615

IUPAC3,4-di(propan-2-yl)-1,3-oxazinane
SMILESCC(C)C1CCOCN1C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)10-5-6-12-7-11(10)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyHYCBQVDPKOEHKU-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds2

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

3,4-di(propan-2-yl)-1,3-oxazinane (PubChem CID 146614615) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,3-oxazinane.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,3-oxazinane
PubChem CID146614615
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3,4-di(propan-2-yl)-1,3-oxazinane
SMILESCC(C)C1CCOCN1C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)10-5-6-12-7-11(10)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyHYCBQVDPKOEHKU-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-di(propan-2-yl)-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3,4-di(propan-2-yl)-1,4-oxazepane
CID 123714088
1,2,5-tri(propan-2-yl)azepane
CID 176801550
1,2-di(propan-2-yl)azocane
CID 134605032
(5aR,8aR)-5-propan-2-yl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine
CID 73011385
1,2,4-tri(propan-2-yl)piperazine
CID 58977477
(3S,4S)-3,4-di(propan-2-yl)oxane
CID 121421969
1,2,5-tri(propan-2-yl)pyrrolidine
CID 58779096
4-methyl-1,2-di(propan-2-yl)piperidine
CID 141078246
(7R)-N,1,7-tri(propan-2-yl)azepan-4-amine
CID 152916334

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,3-oxazinane?
The IUPAC name of 3,4-di(propan-2-yl)-1,3-oxazinane (CID 146614615) is 3,4-di(propan-2-yl)-1,3-oxazinane.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,3-oxazinane?
The canonical SMILES for 3,4-di(propan-2-yl)-1,3-oxazinane is CC(C)C1CCOCN1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,3-oxazinane?
The InChIKey is HYCBQVDPKOEHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)10-5-6-12-7-11(10)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,3-oxazinane?
3,4-di(propan-2-yl)-1,3-oxazinane has a molecular weight of 171.28 g/mol, XLogP of 2.10, 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)-1,3-oxazinane is sourced from PubChem (CID 146614615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).