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

C13H21N5O — CID 62567377

IUPACN-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)n1nnc(-c2ccco2)n1
InChIInChI=1S/C13H21N5O/c1-4-11(5-2)14-9-10(3)18-16-13(15-17-18)12-7-6-8-19-12/h6-8,10-11,14H,4-5,9H2,1-3H3
InChIKeyBQIQFSSNERUMFS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.27
Rot. Bonds7

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

N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine (PubChem CID 62567377) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine
PubChem CID62567377
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)n1nnc(-c2ccco2)n1
InChIInChI=1S/C13H21N5O/c1-4-11(5-2)14-9-10(3)18-16-13(15-17-18)12-7-6-8-19-12/h6-8,10-11,14H,4-5,9H2,1-3H3
InChIKeyBQIQFSSNERUMFS-UHFFFAOYSA-N
XLogP2.27
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate
CID 54915091
2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide
CID 83048207
1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine
CID 62566253
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075
2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one
CID 62024913
2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid
CID 103224370
2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid
CID 81298403
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine
CID 62566798
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid
CID 65219644
N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine
CID 55088040
1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one
CID 62025284

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine?
The IUPAC name of N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine (CID 62567377) is N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine.
What is the SMILES notation for N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine?
The canonical SMILES for N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine is CCC(CC)NCC(C)n1nnc(-c2ccco2)n1.
What is the InChIKey of N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine?
The InChIKey is BQIQFSSNERUMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-11(5-2)14-9-10(3)18-16-13(15-17-18)12-7-6-8-19-12/h6-8,10-11,14H,4-5,9H2,1-3H3.
What are the key properties of N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine?
N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine has a molecular weight of 263.34 g/mol, XLogP of 2.27, 7 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]propyl]pentan-3-amine is sourced from PubChem (CID 62567377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).