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

C23H39N5 — CID 23349345

IUPACN-hexadecyl-4-(2H-tetrazol-5-yl)aniline
SMILESCCCCCCCCCCCCCCCCNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C23H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(17-19-22)23-25-27-28-26-23/h16-19,24H,2-15,20H2,1H3,(H,25,26,27,28)
InChIKeyDULAKBINUWPRIA-UHFFFAOYSA-N
MW385.60 g/mol
LogP6.76
Rot. Bonds17

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

N-hexadecyl-4-(2H-tetrazol-5-yl)aniline (PubChem CID 23349345) has the molecular formula C23H39N5 and a molecular weight of 385.60 g/mol. Its IUPAC name is N-hexadecyl-4-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-hexadecyl-4-(2H-tetrazol-5-yl)aniline
PubChem CID23349345
Molecular FormulaC23H39N5
Molecular Weight385.60 g/mol
Exact Mass385.32
IUPAC NameN-hexadecyl-4-(2H-tetrazol-5-yl)aniline
SMILESCCCCCCCCCCCCCCCCNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C23H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(17-19-22)23-25-27-28-26-23/h16-19,24H,2-15,20H2,1H3,(H,25,26,27,28)
InChIKeyDULAKBINUWPRIA-UHFFFAOYSA-N
XLogP6.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 5331183
CID 5331183
CID 890652
CID 890652
CID 2804192
CID 2804192
CID 135372071
CID 135372071
CID 135372658
CID 135372658
CID 135372117
CID 135372117
CID 142468264
CID 142468264
CID 3041344
CID 3041344
CID 3041347
CID 3041347
CID 67604632
CID 67604632
CID 15164318
CID 15164318
CID 15164319
CID 15164319

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-4-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-hexadecyl-4-(2H-tetrazol-5-yl)aniline (CID 23349345) is N-hexadecyl-4-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-hexadecyl-4-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-hexadecyl-4-(2H-tetrazol-5-yl)aniline is CCCCCCCCCCCCCCCCNc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-hexadecyl-4-(2H-tetrazol-5-yl)aniline?
The InChIKey is DULAKBINUWPRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(17-19-22)23-25-27-28-26-23/h16-19,24H,2-15,20H2,1H3,(H,25,26,27,28).
What are the key properties of N-hexadecyl-4-(2H-tetrazol-5-yl)aniline?
N-hexadecyl-4-(2H-tetrazol-5-yl)aniline has a molecular weight of 385.60 g/mol, XLogP of 6.76, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-4-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 23349345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).