N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C16H29NO — CID 80715919

IUPACN-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC(C)(C)C1CCCCC1NC1CC2CCC1O2
InChIInChI=1S/C16H29NO/c1-16(2,3)12-6-4-5-7-13(12)17-14-10-11-8-9-15(14)18-11/h11-15,17H,4-10H2,1-3H3
InChIKeyNQSLDOWMCYJQKP-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80715919) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80715919
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC(C)(C)C1CCCCC1NC1CC2CCC1O2
InChIInChI=1S/C16H29NO/c1-16(2,3)12-6-4-5-7-13(12)17-14-10-11-8-9-15(14)18-11/h11-15,17H,4-10H2,1-3H3
InChIKeyNQSLDOWMCYJQKP-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol
CID 102733763
N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 130679057
2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine
CID 114110263
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80714777
N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714379
(2-tert-butylcyclohexyl)hydrazine
CID 18070389
1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
CID 115728295
N-(2,2-dimethyl-1,3-dioxan-5-yl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 106658878
2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid
CID 104644781
N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472154
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 80716268
N-(2-tert-butylcyclohexyl)-1,3-dimethylpiperidin-4-amine
CID 115708700

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80715919) is N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine is CC(C)(C)C1CCCCC1NC1CC2CCC1O2.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is NQSLDOWMCYJQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-16(2,3)12-6-4-5-7-13(12)17-14-10-11-8-9-15(14)18-11/h11-15,17H,4-10H2,1-3H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 251.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80715919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).