N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline

C18H29N5 — CID 122191164

IUPACN-decyl-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESCCCCCCCCCCN(Cc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C18H29N5/c1-2-3-4-5-6-7-8-12-15-23(16-18-19-21-22-20-18)17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3,(H,19,20,21,22)
InChIKeyPZTSPYQWOSMJMI-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.35
Rot. Bonds12

About N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline

N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline (PubChem CID 122191164) has the molecular formula C18H29N5 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline.

Molecular Properties

Compound NameN-decyl-N-(2H-tetrazol-5-ylmethyl)aniline
PubChem CID122191164
Molecular FormulaC18H29N5
Molecular Weight315.46 g/mol
Exact Mass315.24
IUPAC NameN-decyl-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESCCCCCCCCCCN(Cc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C18H29N5/c1-2-3-4-5-6-7-8-12-15-23(16-18-19-21-22-20-18)17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3,(H,19,20,21,22)
InChIKeyPZTSPYQWOSMJMI-UHFFFAOYSA-N
XLogP4.35
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline?
The IUPAC name of N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline (CID 122191164) is N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline.
What is the SMILES notation for N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline?
The canonical SMILES for N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline is CCCCCCCCCCN(Cc1nn[nH]n1)c1ccccc1.
What is the InChIKey of N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline?
The InChIKey is PZTSPYQWOSMJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-2-3-4-5-6-7-8-12-15-23(16-18-19-21-22-20-18)17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3,(H,19,20,21,22).
What are the key properties of N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline?
N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline has a molecular weight of 315.46 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline is sourced from PubChem (CID 122191164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).