8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine

C16H21N5 — CID 43676149

IUPAC8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1ccccc1-n1ccnn1)C2
InChIInChI=1S/C16H21N5/c1-20-13-6-7-14(20)11-12(10-13)18-15-4-2-3-5-16(15)21-9-8-17-19-21/h2-5,8-9,12-14,18H,6-7,10-11H2,1H3
InChIKeyDSCNHNAEQQKJDP-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.30
Rot. Bonds3

About 8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43676149) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43676149
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1ccccc1-n1ccnn1)C2
InChIInChI=1S/C16H21N5/c1-20-13-6-7-14(20)11-12(10-13)18-15-4-2-3-5-16(15)21-9-8-17-19-21/h2-5,8-9,12-14,18H,6-7,10-11H2,1H3
InChIKeyDSCNHNAEQQKJDP-UHFFFAOYSA-N
XLogP2.30
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 43676149) is 8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(Nc1ccccc1-n1ccnn1)C2.
What is the InChIKey of 8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is DSCNHNAEQQKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-20-13-6-7-14(20)11-12(10-13)18-15-4-2-3-5-16(15)21-9-8-17-19-21/h2-5,8-9,12-14,18H,6-7,10-11H2,1H3.
What are the key properties of 8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 283.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43676149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).