3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine

C6H13N5 — CID 10241030

IUPAC3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine
SMILESCC(C)C(CN)c1nn[nH]n1
InChIInChI=1S/C6H13N5/c1-4(2)5(3-7)6-8-10-11-9-6/h4-5H,3,7H2,1-2H3,(H,8,9,10,11)
InChIKeyCHKXFBKNRQZPFL-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.10
Rot. Bonds3

About 3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine

3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine (PubChem CID 10241030) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine
PubChem CID10241030
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine
SMILESCC(C)C(CN)c1nn[nH]n1
InChIInChI=1S/C6H13N5/c1-4(2)5(3-7)6-8-10-11-9-6/h4-5H,3,7H2,1-2H3,(H,8,9,10,11)
InChIKeyCHKXFBKNRQZPFL-UHFFFAOYSA-N
XLogP-0.10
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine (CID 10241030) is 3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine is CC(C)C(CN)c1nn[nH]n1.
What is the InChIKey of 3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine?
The InChIKey is CHKXFBKNRQZPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-4(2)5(3-7)6-8-10-11-9-6/h4-5H,3,7H2,1-2H3,(H,8,9,10,11).
What are the key properties of 3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine?
3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine has a molecular weight of 155.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine is sourced from PubChem (CID 10241030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).