2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine

C17H34N2 — CID 62260271

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)CN1CC2CCC1C2
InChIInChI=1S/C17H34N2/c1-6-9-17(5,12-18-16(2,3)4)13-19-11-14-7-8-15(19)10-14/h14-15,18H,6-13H2,1-5H3
InChIKeyFXEPRILAHVOGJV-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds6

About 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine (PubChem CID 62260271) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine
PubChem CID62260271
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)CN1CC2CCC1C2
InChIInChI=1S/C17H34N2/c1-6-9-17(5,12-18-16(2,3)4)13-19-11-14-7-8-15(19)10-14/h14-15,18H,6-13H2,1-5H3
InChIKeyFXEPRILAHVOGJV-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine (CID 62260271) is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine is CCCC(C)(CNC(C)(C)C)CN1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine?
The InChIKey is FXEPRILAHVOGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-6-9-17(5,12-18-16(2,3)4)13-19-11-14-7-8-15(19)10-14/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine?
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine is sourced from PubChem (CID 62260271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).