1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane

C19H35N — CID 134550877

IUPAC1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane
SMILESCC(C)(C)C12CCCCC(C3CCCCC3)(CCC1)N2
InChIInChI=1S/C19H35N/c1-17(2,3)19-14-8-7-12-18(20-19,13-9-15-19)16-10-5-4-6-11-16/h16,20H,4-15H2,1-3H3
InChIKeyCOGAZYYPTGJLTG-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.44
Rot. Bonds1

About 1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane

1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane (PubChem CID 134550877) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane.

Molecular Properties

Compound Name1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane
PubChem CID134550877
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane
SMILESCC(C)(C)C12CCCCC(C3CCCCC3)(CCC1)N2
InChIInChI=1S/C19H35N/c1-17(2,3)19-14-8-7-12-18(20-19,13-9-15-19)16-10-5-4-6-11-16/h16,20H,4-15H2,1-3H3
InChIKeyCOGAZYYPTGJLTG-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane
CID 134467054
1-cyclopentyl-1-(1-cyclopentylcyclobutyl)cyclohexane
CID 175602198
(1-methylcyclopentyl)cyclohexane
CID 13217819
1-tert-butyl-9-azabicyclo[3.3.1]nonane
CID 173037930
1-tert-butylbicyclo[4.1.0]heptane
CID 13029060
(3R)-4-methyl-1-azaspiro[2.6]nonane
CID 121388588
1,1-di(cyclooctyl)cyclooctane
CID 23107007
2-tert-butyl-1-cycloheptylcyclohexan-1-amine
CID 82931284
12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane
CID 176988045
2-tert-butyl-2-cyclohexyloxolane
CID 177073539
(1-methoxycyclohexyl)cyclononane
CID 70179360
1-cyclohexylcyclohexane-1-carbaldehyde
CID 21479214

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane?
The IUPAC name of 1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane (CID 134550877) is 1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane.
What is the SMILES notation for 1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane?
The canonical SMILES for 1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane is CC(C)(C)C12CCCCC(C3CCCCC3)(CCC1)N2.
What is the InChIKey of 1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane?
The InChIKey is COGAZYYPTGJLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-17(2,3)19-14-8-7-12-18(20-19,13-9-15-19)16-10-5-4-6-11-16/h16,20H,4-15H2,1-3H3.
What are the key properties of 1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane?
1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane has a molecular weight of 277.50 g/mol, XLogP of 5.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane is sourced from PubChem (CID 134550877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).