1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine

C9H17N5O — CID 103085687

IUPAC1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1CC1CCCCO1
InChIInChI=1S/C9H17N5O/c1-7(10)9-11-12-13-14(9)6-8-4-2-3-5-15-8/h7-8H,2-6,10H2,1H3
InChIKeyAATYDOXYBFZXHC-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.26
Rot. Bonds3

About 1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine

1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine (PubChem CID 103085687) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
PubChem CID103085687
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1CC1CCCCO1
InChIInChI=1S/C9H17N5O/c1-7(10)9-11-12-13-14(9)6-8-4-2-3-5-15-8/h7-8H,2-6,10H2,1H3
InChIKeyAATYDOXYBFZXHC-UHFFFAOYSA-N
XLogP0.26
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369
1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7391790
N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62763114
1-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine
CID 55139422
1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 3209506
1-methyl-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7391796
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
1-cyclohexyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 5011336
4-[1-(oxan-2-ylmethyl)tetrazol-5-yl]aniline
CID 55014530
2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole
CID 23771389
1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
CID 7388864
1-[(1S)-2-methyl-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
CID 7388858

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine (CID 103085687) is 1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine is CC(N)c1nnnn1CC1CCCCO1.
What is the InChIKey of 1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine?
The InChIKey is AATYDOXYBFZXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7(10)9-11-12-13-14(9)6-8-4-2-3-5-15-8/h7-8H,2-6,10H2,1H3.
What are the key properties of 1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine?
1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine has a molecular weight of 211.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).