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

C12H21N5O — CID 107049276

IUPACN-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1CC2CCC1O2
InChIInChI=1S/C12H21N5O/c1-3-13-10(7-12-14-16-17(2)15-12)9-6-8-4-5-11(9)18-8/h8-11,13H,3-7H2,1-2H3
InChIKeyTWCMUYVIDLIRBL-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.30
Rot. Bonds5

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

N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 107049276) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID107049276
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)C1CC2CCC1O2
InChIInChI=1S/C12H21N5O/c1-3-13-10(7-12-14-16-17(2)15-12)9-6-8-4-5-11(9)18-8/h8-11,13H,3-7H2,1-2H3
InChIKeyTWCMUYVIDLIRBL-UHFFFAOYSA-N
XLogP0.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107049273
N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79751721
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylethanamine
CID 113446951
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 104802183
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107884732
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050823
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79825572
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050180
1-cyclopentyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107044752
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 115983778
2-(1-ethylimidazol-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79751513
N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048630

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 107049276) is N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is CCNC(Cc1nnn(C)n1)C1CC2CCC1O2.
What is the InChIKey of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is TWCMUYVIDLIRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-13-10(7-12-14-16-17(2)15-12)9-6-8-4-5-11(9)18-8/h8-11,13H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 107049276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).