2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine

C14H19N5 — CID 107049596

IUPAC2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
SMILESCn1nnc(CC(N)C2CCc3ccccc3C2)n1
InChIInChI=1S/C14H19N5/c1-19-17-14(16-18-19)9-13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12-13H,6-9,15H2,1H3
InChIKeyVCDGAPHLHMZYAR-UHFFFAOYSA-N
MW257.34 g/mol
LogP0.88
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine

2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 107049596) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID107049596
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
SMILESCn1nnc(CC(N)C2CCc3ccccc3C2)n1
InChIInChI=1S/C14H19N5/c1-19-17-14(16-18-19)9-13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12-13H,6-9,15H2,1H3
InChIKeyVCDGAPHLHMZYAR-UHFFFAOYSA-N
XLogP0.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]hydrazine
CID 107066175
1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049334
1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048433
N-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107042348
2-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404384
2-(4-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404581
1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 91218484
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 79760621
2-(2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404776
2-pyridin-3-yl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 104736415
1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050587
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049572

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine (CID 107049596) is 2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine is Cn1nnc(CC(N)C2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is VCDGAPHLHMZYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-19-17-14(16-18-19)9-13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12-13H,6-9,15H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 257.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 107049596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).