1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine

C13H23N5 — CID 62755280

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
SMILESCN1C2CCC1CC(CNCc1cn(C)nn1)C2
InChIInChI=1S/C13H23N5/c1-17-9-11(15-16-17)8-14-7-10-5-12-3-4-13(6-10)18(12)2/h9-10,12-14H,3-8H2,1-2H3
InChIKeyPJNCTWXNQBSGJJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.78
Rot. Bonds4

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine (PubChem CID 62755280) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
PubChem CID62755280
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
SMILESCN1C2CCC1CC(CNCc1cn(C)nn1)C2
InChIInChI=1S/C13H23N5/c1-17-9-11(15-16-17)8-14-7-10-5-12-3-4-13(6-10)18(12)2/h9-10,12-14H,3-8H2,1-2H3
InChIKeyPJNCTWXNQBSGJJ-UHFFFAOYSA-N
XLogP0.78
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 103398952
N-[(1-methyltriazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166795
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54898941
1-[2-(chloromethyl)cyclohexyl]-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 107054064
3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol
CID 66176969
1-cyclopropyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]methanamine
CID 61013267
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 54899981
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104769990
4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide
CID 61013401
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 63983700
2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 103529326

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine (CID 62755280) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine is CN1C2CCC1CC(CNCc1cn(C)nn1)C2.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
The InChIKey is PJNCTWXNQBSGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-17-9-11(15-16-17)8-14-7-10-5-12-3-4-13(6-10)18(12)2/h9-10,12-14H,3-8H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 62755280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).