N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline

C25H43N5 — CID 23349339

IUPACN-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESCCCCCCCCCCCCCCCCNc1ccc(CCc2nn[nH]n2)cc1
InChIInChI=1S/C25H43N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-26-24-19-16-23(17-20-24)18-21-25-27-29-30-28-25/h16-17,19-20,26H,2-15,18,21-22H2,1H3,(H,27,28,29,30)
InChIKeyCFCMXMRAEMIAPT-UHFFFAOYSA-N
MW413.65 g/mol
LogP6.88
Rot. Bonds19

About N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline

N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline (PubChem CID 23349339) has the molecular formula C25H43N5 and a molecular weight of 413.65 g/mol. Its IUPAC name is N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound NameN-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline
PubChem CID23349339
Molecular FormulaC25H43N5
Molecular Weight413.65 g/mol
Exact Mass413.35
IUPAC NameN-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESCCCCCCCCCCCCCCCCNc1ccc(CCc2nn[nH]n2)cc1
InChIInChI=1S/C25H43N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-26-24-19-16-23(17-20-24)18-21-25-27-29-30-28-25/h16-17,19-20,26H,2-15,18,21-22H2,1H3,(H,27,28,29,30)
InChIKeyCFCMXMRAEMIAPT-UHFFFAOYSA-N
XLogP6.88
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(pentadecylamino)phenyl]ethanol
CID 20525862
4-(2-chloroethyl)-N-pentylaniline
CID 65023933
4-fluoro-N-heptylaniline
CID 43129312
5-pentyl-2H-tetrazole
CID 139080284
4-(chloromethyl)-N-hexylaniline
CID 65025803
5-(4-butylanilino)pentan-1-ol
CID 62228069
6-(4-propylanilino)hexan-1-ol
CID 103868001
4-methyl-N-octylaniline
CID 11816856
N-heptyl-3-(2H-tetrazol-5-yl)propanamide
CID 67740632
2-[4-(nonylamino)phenyl]acetonitrile
CID 63491741
N-ethyl-4-nonylaniline
CID 154108619
N-nonadecylaniline
CID 54509054

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The IUPAC name of N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline (CID 23349339) is N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The canonical SMILES for N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline is CCCCCCCCCCCCCCCCNc1ccc(CCc2nn[nH]n2)cc1.
What is the InChIKey of N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The InChIKey is CFCMXMRAEMIAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-26-24-19-16-23(17-20-24)18-21-25-27-29-30-28-25/h16-17,19-20,26H,2-15,18,21-22H2,1H3,(H,27,28,29,30).
What are the key properties of N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline?
N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline has a molecular weight of 413.65 g/mol, XLogP of 6.88, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-4-[2-(2H-tetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 23349339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).