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

C15H23N5 — CID 63946708

IUPACN-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCCCCC(CC)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C15H23N5/c1-4-6-7-13(5-2)17-15-10-14(9-8-12(15)3)20-11-16-18-19-20/h8-11,13,17H,4-7H2,1-3H3
InChIKeyJOIKOZXFRYEYFC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.35
Rot. Bonds7

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

N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline (PubChem CID 63946708) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
PubChem CID63946708
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCCCCC(CC)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C15H23N5/c1-4-6-7-13(5-2)17-15-10-14(9-8-12(15)3)20-11-16-18-19-20/h8-11,13,17H,4-7H2,1-3H3
InChIKeyJOIKOZXFRYEYFC-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline (CID 63946708) is N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline is CCCCC(CC)Nc1cc(-n2cnnn2)ccc1C.
What is the InChIKey of N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline?
The InChIKey is JOIKOZXFRYEYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-6-7-13(5-2)17-15-10-14(9-8-12(15)3)20-11-16-18-19-20/h8-11,13,17H,4-7H2,1-3H3.
What are the key properties of N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline?
N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline has a molecular weight of 273.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 63946708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).