3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine

C8H17N5 — CID 61372958

IUPAC3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine
SMILESCC(C)Cc1nnnn1CCCN
InChIInChI=1S/C8H17N5/c1-7(2)6-8-10-11-12-13(8)5-3-4-9/h7H,3-6,9H2,1-2H3
InChIKeyXZBDNHXXTLUMNN-UHFFFAOYSA-N
MW183.26 g/mol
LogP0.22
Rot. Bonds5

About 3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine

3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine (PubChem CID 61372958) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine
PubChem CID61372958
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine
SMILESCC(C)Cc1nnnn1CCCN
InChIInChI=1S/C8H17N5/c1-7(2)6-8-10-11-12-13(8)5-3-4-9/h7H,3-6,9H2,1-2H3
InChIKeyXZBDNHXXTLUMNN-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine (CID 61372958) is 3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine is CC(C)Cc1nnnn1CCCN.
What is the InChIKey of 3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine?
The InChIKey is XZBDNHXXTLUMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-7(2)6-8-10-11-12-13(8)5-3-4-9/h7H,3-6,9H2,1-2H3.
What are the key properties of 3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine?
3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine has a molecular weight of 183.26 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpropyl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 61372958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).