N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine

C12H19N5O — CID 55088040

IUPACN-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H19N5O/c1-12(2,3)13-7-5-8-17-15-11(14-16-17)10-6-4-9-18-10/h4,6,9,13H,5,7-8H2,1-3H3
InChIKeyJEQDARHCECWIPF-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.71
Rot. Bonds5

About N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine

N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine (PubChem CID 55088040) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine
PubChem CID55088040
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H19N5O/c1-12(2,3)13-7-5-8-17-15-11(14-16-17)10-6-4-9-18-10/h4,6,9,13H,5,7-8H2,1-3H3
InChIKeyJEQDARHCECWIPF-UHFFFAOYSA-N
XLogP1.71
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine (CID 55088040) is N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCn1nnc(-c2ccco2)n1.
What is the InChIKey of N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is JEQDARHCECWIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-12(2,3)13-7-5-8-17-15-11(14-16-17)10-6-4-9-18-10/h4,6,9,13H,5,7-8H2,1-3H3.
What are the key properties of N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine?
N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 249.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55088040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).