2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine

C11H21NO — CID 14875994

IUPAC2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCC(CC)C1=NCCCO1
InChIInChI=1S/C11H21NO/c1-3-5-7-10(4-2)11-12-8-6-9-13-11/h10H,3-9H2,1-2H3
InChIKeyAHJDXFZSFGKHHW-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.02
Rot. Bonds5

About 2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine

2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 14875994) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine
PubChem CID14875994
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCCC(CC)C1=NCCCO1
InChIInChI=1S/C11H21NO/c1-3-5-7-10(4-2)11-12-8-6-9-13-11/h10H,3-9H2,1-2H3
InChIKeyAHJDXFZSFGKHHW-UHFFFAOYSA-N
XLogP3.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Ethylheptyl)-2-oxazoline
CID 101504094
2-(Heptan-3-yl)-4,5-dihydrooxazole
CID 4220331
2-pentyl-5,6-dihydro-4H-1,3-oxazine
CID 11789440
(R,E)-N-(2-(tetrahydro-2H-pyran-3-yl)ethylidene)methanamine
CID 58011503
N-methyl-2-[(3S)-oxan-3-yl]ethanimine
CID 58329993
N-methyl-2-(oxan-3-yl)ethanimine
CID 67251686
2-(2-Ethylpentyl)-4,5-dihydro-1,3-oxazole
CID 67920657
2-(2-Ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine
CID 91465980
N-[3-(2-ethylhexoxy)propyl]methanimine
CID 123402994
ethyl N,3,5-trimethylhexanimidate
CID 123533269
ethyl N,2,5-trimethylhexanimidate
CID 123887545
2-(3-methylnonan-3-yl)-5,6-dihydro-4H-1,3-oxazine
CID 130313481

Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine (CID 14875994) is 2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine is CCCCC(CC)C1=NCCCO1.
What is the InChIKey of 2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is AHJDXFZSFGKHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-7-10(4-2)11-12-8-6-9-13-11/h10H,3-9H2,1-2H3.
What are the key properties of 2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine?
2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 183.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 14875994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).