3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline

C16H23N5 — CID 79361312

IUPAC3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline
SMILESCc1cc(N)ccc1-c1nnnn1CC1C(C)(C)C1(C)C
InChIInChI=1S/C16H23N5/c1-10-8-11(17)6-7-12(10)14-18-19-20-21(14)9-13-15(2,3)16(13,4)5/h6-8,13H,9,17H2,1-5H3
InChIKeySBFHQXIJXGYXAS-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.91
Rot. Bonds3

About 3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline

3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline (PubChem CID 79361312) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline
PubChem CID79361312
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline
SMILESCc1cc(N)ccc1-c1nnnn1CC1C(C)(C)C1(C)C
InChIInChI=1S/C16H23N5/c1-10-8-11(17)6-7-12(10)14-18-19-20-21(14)9-13-15(2,3)16(13,4)5/h6-8,13H,9,17H2,1-5H3
InChIKeySBFHQXIJXGYXAS-UHFFFAOYSA-N
XLogP2.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]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 3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline (CID 79361312) is 3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline is Cc1cc(N)ccc1-c1nnnn1CC1C(C)(C)C1(C)C.
What is the InChIKey of 3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is SBFHQXIJXGYXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-10-8-11(17)6-7-12(10)14-18-19-20-21(14)9-13-15(2,3)16(13,4)5/h6-8,13H,9,17H2,1-5H3.
What are the key properties of 3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline?
3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 285.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 79361312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).