N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine

C15H30N2 — CID 134411103

IUPACN,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)(C)NC1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C15H30N2/c1-14(2,3)16-11-9-12-7-8-13(10-11)17(12)15(4,5)6/h11-13,16H,7-10H2,1-6H3
InChIKeyAFZYLDGKQDSYEM-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds1

About N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine

N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 134411103) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID134411103
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)(C)NC1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C15H30N2/c1-14(2,3)16-11-9-12-7-8-13(10-11)17(12)15(4,5)6/h11-13,16H,7-10H2,1-6H3
InChIKeyAFZYLDGKQDSYEM-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine (CID 134411103) is N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine is CC(C)(C)NC1CC2CCC(C1)N2C(C)(C)C.
What is the InChIKey of N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AFZYLDGKQDSYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(2,3)16-11-9-12-7-8-13(10-11)17(12)15(4,5)6/h11-13,16H,7-10H2,1-6H3.
What are the key properties of N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine?
N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 134411103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).