N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine

C18H28N2 — CID 62435294

IUPACN-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(CN2CC3CCC2C3)c1
InChIInChI=1S/C18H28N2/c1-18(2,3)19-11-14-5-4-6-15(9-14)12-20-13-16-7-8-17(20)10-16/h4-6,9,16-17,19H,7-8,10-13H2,1-3H3
InChIKeyTZLJUWVKLFLQDH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.56
Rot. Bonds4

About N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62435294) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID62435294
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(CN2CC3CCC2C3)c1
InChIInChI=1S/C18H28N2/c1-18(2,3)19-11-14-5-4-6-15(9-14)12-20-13-16-7-8-17(20)10-16/h4-6,9,16-17,19H,7-8,10-13H2,1-3H3
InChIKeyTZLJUWVKLFLQDH-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine (CID 62435294) is N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc(CN2CC3CCC2C3)c1.
What is the InChIKey of N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is TZLJUWVKLFLQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2,3)19-11-14-5-4-6-15(9-14)12-20-13-16-7-8-17(20)10-16/h4-6,9,16-17,19H,7-8,10-13H2,1-3H3.
What are the key properties of N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 272.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62435294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).