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

C7H15N5 — CID 61372960

IUPAC3-(5-propan-2-yltetrazol-1-yl)propan-1-amine
SMILESCC(C)c1nnnn1CCCN
InChIInChI=1S/C7H15N5/c1-6(2)7-9-10-11-12(7)5-3-4-8/h6H,3-5,8H2,1-2H3
InChIKeyGJADSZRYBORMTL-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.15
Rot. Bonds4

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

3-(5-propan-2-yltetrazol-1-yl)propan-1-amine (PubChem CID 61372960) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(5-propan-2-yltetrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-propan-2-yltetrazol-1-yl)propan-1-amine
PubChem CID61372960
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name3-(5-propan-2-yltetrazol-1-yl)propan-1-amine
SMILESCC(C)c1nnnn1CCCN
InChIInChI=1S/C7H15N5/c1-6(2)7-9-10-11-12(7)5-3-4-8/h6H,3-5,8H2,1-2H3
InChIKeyGJADSZRYBORMTL-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-(5-propan-2-yltetrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(5-propan-2-yltetrazol-1-yl)propan-1-amine (CID 61372960) is 3-(5-propan-2-yltetrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5-propan-2-yltetrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5-propan-2-yltetrazol-1-yl)propan-1-amine is CC(C)c1nnnn1CCCN.
What is the InChIKey of 3-(5-propan-2-yltetrazol-1-yl)propan-1-amine?
The InChIKey is GJADSZRYBORMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-6(2)7-9-10-11-12(7)5-3-4-8/h6H,3-5,8H2,1-2H3.
What are the key properties of 3-(5-propan-2-yltetrazol-1-yl)propan-1-amine?
3-(5-propan-2-yltetrazol-1-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-(5-propan-2-yltetrazol-1-yl)propan-1-amine is sourced from PubChem (CID 61372960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).