8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C13H23N5 — CID 43703170

IUPAC8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(NC1CC2CCC(C1)N2C)c1nncn1C
InChIInChI=1S/C13H23N5/c1-9(13-16-14-8-17(13)2)15-10-6-11-4-5-12(7-10)18(11)3/h8-12,15H,4-7H2,1-3H3
InChIKeyGSHIAAZQTFBJCA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.09
Rot. Bonds3

About 8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43703170) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43703170
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(NC1CC2CCC(C1)N2C)c1nncn1C
InChIInChI=1S/C13H23N5/c1-9(13-16-14-8-17(13)2)15-10-6-11-4-5-12(7-10)18(11)3/h8-12,15H,4-7H2,1-3H3
InChIKeyGSHIAAZQTFBJCA-UHFFFAOYSA-N
XLogP1.09
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine
CID 130683482
1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79458750
tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate
CID 80559631
trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol
CID 102731179
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43748131
2,4,4-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 106661974
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 62364865
6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81345280
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 79541672
4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81344887

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 43703170) is 8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CC(NC1CC2CCC(C1)N2C)c1nncn1C.
What is the InChIKey of 8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GSHIAAZQTFBJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-9(13-16-14-8-17(13)2)15-10-6-11-4-5-12(7-10)18(11)3/h8-12,15H,4-7H2,1-3H3.
What are the key properties of 8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 249.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43703170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).