10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine

C18H34N2O — CID 167191433

IUPAC10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine
SMILESCC1CCCCCCC2C(C1)O/C(=N\C(C)C)N2C(C)C
InChIInChI=1S/C18H34N2O/c1-13(2)19-18-20(14(3)4)16-11-9-7-6-8-10-15(5)12-17(16)21-18/h13-17H,6-12H2,1-5H3/b19-18-
InChIKeyCPJCCIPNNRXRSY-HNENSFHCSA-N
MW294.48 g/mol
LogP4.61
Rot. Bonds2

About 10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine

10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine (PubChem CID 167191433) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine.

Molecular Properties

Compound Name10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine
PubChem CID167191433
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine
SMILESCC1CCCCCCC2C(C1)O/C(=N\C(C)C)N2C(C)C
InChIInChI=1S/C18H34N2O/c1-13(2)19-18-20(14(3)4)16-11-9-7-6-8-10-15(5)12-17(16)21-18/h13-17H,6-12H2,1-5H3/b19-18-
InChIKeyCPJCCIPNNRXRSY-HNENSFHCSA-N
XLogP4.61
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine
CID 166733275
5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one
CID 167191429
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
CID 174040265
CID 174040265
1,3,5-trimethylcyclododecane
CID 123355776
2-methyl-N-propan-2-ylcyclohexan-1-imine
CID 11263611
CID 174023912
CID 174023912
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine
CID 170074069
11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane
CID 138727381
(1R)-1,3-dimethylcyclohexane
CID 12594306

Frequently Asked Questions

What is the IUPAC name of 10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine?
The IUPAC name of 10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine (CID 167191433) is 10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine.
What is the SMILES notation for 10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine?
The canonical SMILES for 10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine is CC1CCCCCCC2C(C1)O/C(=N\C(C)C)N2C(C)C.
What is the InChIKey of 10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine?
The InChIKey is CPJCCIPNNRXRSY-HNENSFHCSA-N. The full InChI is InChI=1S/C18H34N2O/c1-13(2)19-18-20(14(3)4)16-11-9-7-6-8-10-15(5)12-17(16)21-18/h13-17H,6-12H2,1-5H3/b19-18-.
What are the key properties of 10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine?
10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine has a molecular weight of 294.48 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,10,11,11a-decahydrocyclodeca[d][1,3]oxazol-2-imine is sourced from PubChem (CID 167191433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).