5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine

C14H22N6O — CID 103388349

IUPAC5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C14H22N6O/c1-11-5-6-13(20-10-16-18-19-20)8-14(11)17-12(9-21-2)4-3-7-15/h5-6,8,10,12,17H,3-4,7,9,15H2,1-2H3
InChIKeyFIWMYKJLCHVRDA-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.14
Rot. Bonds8

About 5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine

5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine (PubChem CID 103388349) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine
PubChem CID103388349
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C14H22N6O/c1-11-5-6-13(20-10-16-18-19-20)8-14(11)17-12(9-21-2)4-3-7-15/h5-6,8,10,12,17H,3-4,7,9,15H2,1-2H3
InChIKeyFIWMYKJLCHVRDA-UHFFFAOYSA-N
XLogP1.14
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine
CID 103389190
N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 63946708
N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 103936260
3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide
CID 103388767
N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 104584103
2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338078
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376
5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine
CID 103388781
2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline
CID 43700067
5-methoxy-4-N-(2-methoxy-4-methylphenyl)pentane-1,4-diamine
CID 103389291
2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60972786

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine (CID 103388349) is 5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine is COCC(CCCN)Nc1cc(-n2cnnn2)ccc1C.
What is the InChIKey of 5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine?
The InChIKey is FIWMYKJLCHVRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11-5-6-13(20-10-16-18-19-20)8-14(11)17-12(9-21-2)4-3-7-15/h5-6,8,10,12,17H,3-4,7,9,15H2,1-2H3.
What are the key properties of 5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine?
5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine is sourced from PubChem (CID 103388349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).