N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine

C12H19N5O — CID 62566254

IUPACN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine
SMILESCCCCCNCCn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H19N5O/c1-2-3-4-7-13-8-9-17-15-12(14-16-17)11-6-5-10-18-11/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyQADOMZZQFVCFSS-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.71
Rot. Bonds8

About N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine

N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine (PubChem CID 62566254) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine
PubChem CID62566254
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine
SMILESCCCCCNCCn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H19N5O/c1-2-3-4-7-13-8-9-17-15-12(14-16-17)11-6-5-10-18-11/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyQADOMZZQFVCFSS-UHFFFAOYSA-N
XLogP1.71
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
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-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine?
The IUPAC name of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine (CID 62566254) is N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine?
The canonical SMILES for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine is CCCCCNCCn1nnc(-c2ccco2)n1.
What is the InChIKey of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine?
The InChIKey is QADOMZZQFVCFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-3-4-7-13-8-9-17-15-12(14-16-17)11-6-5-10-18-11/h5-6,10,13H,2-4,7-9H2,1H3.
What are the key properties of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine?
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 62566254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).