1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

C12H21N5 — CID 107050823

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)C1CC2CCC1C2
InChIInChI=1S/C12H21N5/c1-13-11(7-12-14-16-17(2)15-12)10-6-8-3-4-9(10)5-8/h8-11,13H,3-7H2,1-2H3
InChIKeyMTSLIBXXEKDHSA-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.78
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107050823) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107050823
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)C1CC2CCC1C2
InChIInChI=1S/C12H21N5/c1-13-11(7-12-14-16-17(2)15-12)10-6-8-3-4-9(10)5-8/h8-11,13H,3-7H2,1-2H3
InChIKeyMTSLIBXXEKDHSA-UHFFFAOYSA-N
XLogP0.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyltetrazol-5-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 107042445
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine
CID 61365938
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61365937
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107049276
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61365737
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 114192236
1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 126822572
[1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066163
N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
CID 107044611
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049477
[4-cyclopentyl-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066854
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050394

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107050823) is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is CNC(Cc1nnn(C)n1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is MTSLIBXXEKDHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-13-11(7-12-14-16-17(2)15-12)10-6-8-3-4-9(10)5-8/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107050823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).