N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline

C14H21N5 — CID 103936260

IUPACN-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCCCC(CC)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C14H21N5/c1-4-6-12(5-2)16-14-9-13(8-7-11(14)3)19-10-15-17-18-19/h7-10,12,16H,4-6H2,1-3H3
InChIKeyLOUDQKKCERGRMG-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.96
Rot. Bonds6

About N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline

N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline (PubChem CID 103936260) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
PubChem CID103936260
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCCCC(CC)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C14H21N5/c1-4-6-12(5-2)16-14-9-13(8-7-11(14)3)19-10-15-17-18-19/h7-10,12,16H,4-6H2,1-3H3
InChIKeyLOUDQKKCERGRMG-UHFFFAOYSA-N
XLogP2.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 63946708
2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline
CID 43700067
N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 104584103
5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine
CID 103388349
2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338078
2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60972786
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
3-amino-4-[2-methyl-5-(tetrazol-1-yl)anilino]-4-oxobutanoic acid
CID 64895694
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline (CID 103936260) is N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline is CCCC(CC)Nc1cc(-n2cnnn2)ccc1C.
What is the InChIKey of N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline?
The InChIKey is LOUDQKKCERGRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-6-12(5-2)16-14-9-13(8-7-11(14)3)19-10-15-17-18-19/h7-10,12,16H,4-6H2,1-3H3.
What are the key properties of N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline?
N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline has a molecular weight of 259.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 103936260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).