1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane]

C18H33NO — CID 65118073

IUPAC1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane]
SMILESCCCC1CCC2OC3(CCC(C)(C)CC3)CNC2C1
InChIInChI=1S/C18H33NO/c1-4-5-14-6-7-16-15(12-14)19-13-18(20-16)10-8-17(2,3)9-11-18/h14-16,19H,4-13H2,1-3H3
InChIKeyKLVPKUGSNAUDRV-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds2

About 1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane]

1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane] (PubChem CID 65118073) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane].

Molecular Properties

Compound Name1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane]
PubChem CID65118073
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane]
SMILESCCCC1CCC2OC3(CCC(C)(C)CC3)CNC2C1
InChIInChI=1S/C18H33NO/c1-4-5-14-6-7-16-15(12-14)19-13-18(20-16)10-8-17(2,3)9-11-18/h14-16,19H,4-13H2,1-3H3
InChIKeyKLVPKUGSNAUDRV-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane] 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

7-propyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine
CID 60916186
4'-ethylspiro[3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine-2,1'-cyclohexane] 6,6-dioxide
CID 65120641
8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825541
8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825516
1-(1-methylcyclopropyl)-3-propylcyclopentane
CID 163768039
3-ethyl-9-methyl-2-propyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117967
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
3-propylbicyclo[4.2.0]octane
CID 145186098
2-ethyl-9-propyl-1-oxa-4-azaspiro[5.6]dodecane
CID 65122152
1,1-dimethyl-3-propylcyclobutane
CID 19073360
1-(iodomethyl)-3-propylcyclopentane
CID 148554374
(3-propylcyclopentyl)methanamine
CID 83635339

Frequently Asked Questions

What is the IUPAC name of 1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane]?
The IUPAC name of 1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane] (CID 65118073) is 1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane].
What is the SMILES notation for 1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane]?
The canonical SMILES for 1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane] is CCCC1CCC2OC3(CCC(C)(C)CC3)CNC2C1.
What is the InChIKey of 1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane]?
The InChIKey is KLVPKUGSNAUDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-5-14-6-7-16-15(12-14)19-13-18(20-16)10-8-17(2,3)9-11-18/h14-16,19H,4-13H2,1-3H3.
What are the key properties of 1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane]?
1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane] has a molecular weight of 279.47 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-dimethyl-6-propylspiro[3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-2,4'-cyclohexane] is sourced from PubChem (CID 65118073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).