2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

C10H17N5O — CID 107049273

IUPAC2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCn1nnc(CC(N)C2CC3CCC2O3)n1
InChIInChI=1S/C10H17N5O/c1-15-13-10(12-14-15)5-8(11)7-4-6-2-3-9(7)16-6/h6-9H,2-5,11H2,1H3
InChIKeyDWIBXSAZKUZSBO-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.35
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 107049273) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID107049273
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCn1nnc(CC(N)C2CC3CCC2O3)n1
InChIInChI=1S/C10H17N5O/c1-15-13-10(12-14-15)5-8(11)7-4-6-2-3-9(7)16-6/h6-9H,2-5,11H2,1H3
InChIKeyDWIBXSAZKUZSBO-UHFFFAOYSA-N
XLogP-0.35
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107049276
1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049334
1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048433
2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine
CID 107049445
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050394
1-(1,1-dioxothiolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050587
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79820523
2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 107049596
1-cyclopentyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107044748
1-(1-adamantyl)-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107064859
(2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 130993454
2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
CID 79445783

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 107049273) is 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is Cn1nnc(CC(N)C2CC3CCC2O3)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is DWIBXSAZKUZSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-13-10(12-14-15)5-8(11)7-4-6-2-3-9(7)16-6/h6-9H,2-5,11H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 223.28 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 107049273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).