3-(2-propan-2-yltetrazol-5-yl)propan-1-amine

C7H15N5 — CID 84653524

IUPAC3-(2-propan-2-yltetrazol-5-yl)propan-1-amine
SMILESCC(C)n1nnc(CCCN)n1
InChIInChI=1S/C7H15N5/c1-6(2)12-10-7(9-11-12)4-3-5-8/h6H,3-5,8H2,1-2H3
InChIKeyWWNJPSKKTJAXIG-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.15
Rot. Bonds4

About 3-(2-propan-2-yltetrazol-5-yl)propan-1-amine

3-(2-propan-2-yltetrazol-5-yl)propan-1-amine (PubChem CID 84653524) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(2-propan-2-yltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-propan-2-yltetrazol-5-yl)propan-1-amine
PubChem CID84653524
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name3-(2-propan-2-yltetrazol-5-yl)propan-1-amine
SMILESCC(C)n1nnc(CCCN)n1
InChIInChI=1S/C7H15N5/c1-6(2)12-10-7(9-11-12)4-3-5-8/h6H,3-5,8H2,1-2H3
InChIKeyWWNJPSKKTJAXIG-UHFFFAOYSA-N
XLogP0.15
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yltetrazol-5-yl)propan-1-amine?
The IUPAC name of 3-(2-propan-2-yltetrazol-5-yl)propan-1-amine (CID 84653524) is 3-(2-propan-2-yltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2-propan-2-yltetrazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(2-propan-2-yltetrazol-5-yl)propan-1-amine is CC(C)n1nnc(CCCN)n1.
What is the InChIKey of 3-(2-propan-2-yltetrazol-5-yl)propan-1-amine?
The InChIKey is WWNJPSKKTJAXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-6(2)12-10-7(9-11-12)4-3-5-8/h6H,3-5,8H2,1-2H3.
What are the key properties of 3-(2-propan-2-yltetrazol-5-yl)propan-1-amine?
3-(2-propan-2-yltetrazol-5-yl)propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 84653524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).