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

C15H29NO — CID 143716421

IUPAC6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine
SMILESCCCCCCCC(CC)C1=C(C)NCCO1
InChIInChI=1S/C15H29NO/c1-4-6-7-8-9-10-14(5-2)15-13(3)16-11-12-17-15/h14,16H,4-12H2,1-3H3
InChIKeyUZNSFQVBSYABJN-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.22
Rot. Bonds8

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

6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine (PubChem CID 143716421) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine
PubChem CID143716421
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine
SMILESCCCCCCCC(CC)C1=C(C)NCCO1
InChIInChI=1S/C15H29NO/c1-4-6-7-8-9-10-14(5-2)15-13(3)16-11-12-17-15/h14,16H,4-12H2,1-3H3
InChIKeyUZNSFQVBSYABJN-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine
CID 71088991
6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
CID 71228771
(2R)-5-[(2S)-butan-2-yl]-2-(methoxymethyl)-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 118018500
5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine
CID 143716346
5,11-Dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
CID 143716372
2-Butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716426
2,10-Dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716448
11-Methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
CID 143716470
5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-oxazine
CID 143716517
10-Butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716684
2-Ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716699
2-butyl-5-ethyl-6-propyl-3,4-dihydro-2H-1,4-oxazine;heptane;3-methylnonane
CID 168179363

Frequently Asked Questions

What is the IUPAC name of 6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine (CID 143716421) is 6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine is CCCCCCCC(CC)C1=C(C)NCCO1.
What is the InChIKey of 6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is UZNSFQVBSYABJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-6-7-8-9-10-14(5-2)15-13(3)16-11-12-17-15/h14,16H,4-12H2,1-3H3.
What are the key properties of 6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine?
6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 239.40 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 143716421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).