6-(2-methyltetrazol-5-yl)hexan-3-amine

C8H17N5 — CID 107054841

IUPAC6-(2-methyltetrazol-5-yl)hexan-3-amine
SMILESCCC(N)CCCc1nnn(C)n1
InChIInChI=1S/C8H17N5/c1-3-7(9)5-4-6-8-10-12-13(2)11-8/h7H,3-6,9H2,1-2H3
InChIKeyRUMKLRBZLPMZFE-UHFFFAOYSA-N
MW183.26 g/mol
LogP0.27
Rot. Bonds5

About 6-(2-methyltetrazol-5-yl)hexan-3-amine

6-(2-methyltetrazol-5-yl)hexan-3-amine (PubChem CID 107054841) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 6-(2-methyltetrazol-5-yl)hexan-3-amine.

Molecular Properties

Compound Name6-(2-methyltetrazol-5-yl)hexan-3-amine
PubChem CID107054841
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name6-(2-methyltetrazol-5-yl)hexan-3-amine
SMILESCCC(N)CCCc1nnn(C)n1
InChIInChI=1S/C8H17N5/c1-3-7(9)5-4-6-8-10-12-13(2)11-8/h7H,3-6,9H2,1-2H3
InChIKeyRUMKLRBZLPMZFE-UHFFFAOYSA-N
XLogP0.27
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054892
5-(4-chloropentyl)-2-methyltetrazole
CID 107055052
5-butyl-2-methyltetrazole;ethane
CID 144800630
5-(4-bromobutyl)-2-methyltetrazole
CID 107055081
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 107045335
3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
CID 107061843
1-(2-methyltetrazol-5-yl)octan-2-ol
CID 107046019
1-cyclopentyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107044748
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine
CID 107053857
1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050132
N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
CID 107044605
[3-ethyl-1-(2-methyltetrazol-5-yl)heptan-2-yl]hydrazine
CID 107066910

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyltetrazol-5-yl)hexan-3-amine?
The IUPAC name of 6-(2-methyltetrazol-5-yl)hexan-3-amine (CID 107054841) is 6-(2-methyltetrazol-5-yl)hexan-3-amine.
What is the SMILES notation for 6-(2-methyltetrazol-5-yl)hexan-3-amine?
The canonical SMILES for 6-(2-methyltetrazol-5-yl)hexan-3-amine is CCC(N)CCCc1nnn(C)n1.
What is the InChIKey of 6-(2-methyltetrazol-5-yl)hexan-3-amine?
The InChIKey is RUMKLRBZLPMZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-3-7(9)5-4-6-8-10-12-13(2)11-8/h7H,3-6,9H2,1-2H3.
What are the key properties of 6-(2-methyltetrazol-5-yl)hexan-3-amine?
6-(2-methyltetrazol-5-yl)hexan-3-amine has a molecular weight of 183.26 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyltetrazol-5-yl)hexan-3-amine is sourced from PubChem (CID 107054841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).