3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine

C19H27NO — CID 15438270

IUPAC3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine
SMILESCc1ccc2c(c1)OC1=C(CCCCCCCCCC1)N2
InChIInChI=1S/C19H27NO/c1-15-12-13-17-19(14-15)21-18-11-9-7-5-3-2-4-6-8-10-16(18)20-17/h12-14,20H,2-11H2,1H3
InChIKeyRHVUUWIGDBUJPY-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.93
Rot. Bonds

About 3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine

3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine (PubChem CID 15438270) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine.

Molecular Properties

Compound Name3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine
PubChem CID15438270
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine
SMILESCc1ccc2c(c1)OC1=C(CCCCCCCCCC1)N2
InChIInChI=1S/C19H27NO/c1-15-12-13-17-19(14-15)21-18-11-9-7-5-3-2-4-6-8-10-16(18)20-17/h12-14,20H,2-11H2,1H3
InChIKeyRHVUUWIGDBUJPY-UHFFFAOYSA-N
XLogP5.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine with MolForge

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Related Compounds

7-methylspiro[4H-1,4-benzoxazine-2,1'-cyclohexane]-3-one
CID 115098131
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine
CID 84618421
3-methyl-6,7,8,9,10,11,12,13,14,15,15a,16-dodecahydro-5aH-cyclododeca[b][1,4]benzoxazine
CID 115825557
2-methyl-7-propan-2-yl-10H-phenoxazine
CID 67522543
ethane;2,2,7-trimethyl-4H-1,4-benzoxazin-3-one
CID 143767422
2-bromo-8-methyl-5H-thieno[2,3-b][1,5]benzoxazepin-4-one
CID 118484329
8-methyl-2,3,11,12-tetrahydro-1H-[1]benzothiolo[2,3-b][1,5]benzoxazepin-4-one
CID 90698122
3-chloro-7-methyl-10H-phenoxazine;oxane-3,4-diol
CID 145273654
9-chloro-N-cyclohexyl-N,2-dimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812308
6-methyl-1H-4,2,1-benzoxathiazine
CID 91370754
3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine
CID 151544815

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine?
The IUPAC name of 3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine (CID 15438270) is 3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine.
What is the SMILES notation for 3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine?
The canonical SMILES for 3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine is Cc1ccc2c(c1)OC1=C(CCCCCCCCCC1)N2.
What is the InChIKey of 3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine?
The InChIKey is RHVUUWIGDBUJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-15-12-13-17-19(14-15)21-18-11-9-7-5-3-2-4-6-8-10-16(18)20-17/h12-14,20H,2-11H2,1H3.
What are the key properties of 3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine?
3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine has a molecular weight of 285.43 g/mol, XLogP of 5.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclododeca[b][1,4]benzoxazine is sourced from PubChem (CID 15438270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).