1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine

C8H15N5O — CID 62387046

IUPAC1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESC1CC(CNCc2nn[nH]n2)CCO1
InChIInChI=1S/C8H15N5O/c1-3-14-4-2-7(1)5-9-6-8-10-12-13-11-8/h7,9H,1-6H2,(H,10,11,12,13)
InChIKeyHWYXTFNDJINLHG-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.28
Rot. Bonds4

About 1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine

1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine (PubChem CID 62387046) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
PubChem CID62387046
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESC1CC(CNCc2nn[nH]n2)CCO1
InChIInChI=1S/C8H15N5O/c1-3-14-4-2-7(1)5-9-6-8-10-12-13-11-8/h7,9H,1-6H2,(H,10,11,12,13)
InChIKeyHWYXTFNDJINLHG-UHFFFAOYSA-N
XLogP-0.28
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine (CID 62387046) is 1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine is C1CC(CNCc2nn[nH]n2)CCO1.
What is the InChIKey of 1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The InChIKey is HWYXTFNDJINLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-3-14-4-2-7(1)5-9-6-8-10-12-13-11-8/h7,9H,1-6H2,(H,10,11,12,13).
What are the key properties of 1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine has a molecular weight of 197.24 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 62387046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).