N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline

C13H19N5 — CID 43683982

IUPACN-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
SMILESCC(C)CC(C)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H19N5/c1-10(2)7-11(3)15-12-5-4-6-13(8-12)18-9-14-16-17-18/h4-6,8-11,15H,7H2,1-3H3
InChIKeyBXSURRJAMVJGDN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.51
Rot. Bonds5

About N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline

N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline (PubChem CID 43683982) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
PubChem CID43683982
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
SMILESCC(C)CC(C)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H19N5/c1-10(2)7-11(3)15-12-5-4-6-13(8-12)18-9-14-16-17-18/h4-6,8-11,15H,7H2,1-3H3
InChIKeyBXSURRJAMVJGDN-UHFFFAOYSA-N
XLogP2.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43781131
3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43683983
N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43684011
N-[1-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43683959
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
CID 64920522
3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol
CID 43207009
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 25280698
5-amino-4-methyl-N-[3-(tetrazol-1-yl)phenyl]pentanamide
CID 82012333
2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 61454990

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline (CID 43683982) is N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline is CC(C)CC(C)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline?
The InChIKey is BXSURRJAMVJGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(2)7-11(3)15-12-5-4-6-13(8-12)18-9-14-16-17-18/h4-6,8-11,15H,7H2,1-3H3.
What are the key properties of N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline?
N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline has a molecular weight of 245.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43683982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).