4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline

C13H19N5 — CID 43738043

IUPAC4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
SMILESCCCCCNc1ccc(C)c(-n2cnnn2)c1
InChIInChI=1S/C13H19N5/c1-3-4-5-8-14-12-7-6-11(2)13(9-12)18-10-15-16-17-18/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyMWWMNMANJBZTKE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.57
Rot. Bonds6

About 4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline

4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline (PubChem CID 43738043) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
PubChem CID43738043
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
SMILESCCCCCNc1ccc(C)c(-n2cnnn2)c1
InChIInChI=1S/C13H19N5/c1-3-4-5-8-14-12-7-6-11(2)13(9-12)18-10-15-16-17-18/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyMWWMNMANJBZTKE-UHFFFAOYSA-N
XLogP2.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890
N-(2,2-dimethoxyethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 55231877
[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
CID 110006499
4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 62760471
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
N-[(1-ethylimidazol-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 62351165
4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758879
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 82835839
N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 60780934
2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338038
2-[4-methyl-3-(tetrazol-1-yl)anilino]butanoic acid
CID 115352922

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline?
The IUPAC name of 4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline (CID 43738043) is 4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for 4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline?
The canonical SMILES for 4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline is CCCCCNc1ccc(C)c(-n2cnnn2)c1.
What is the InChIKey of 4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline?
The InChIKey is MWWMNMANJBZTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-4-5-8-14-12-7-6-11(2)13(9-12)18-10-15-16-17-18/h6-7,9-10,14H,3-5,8H2,1-2H3.
What are the key properties of 4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline?
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline has a molecular weight of 245.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43738043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).