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

C15H21N5 — CID 107420425

IUPAC4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
SMILESCc1ccc(N)cc1-c1nnnn1CC1CCCC1C
InChIInChI=1S/C15H21N5/c1-10-4-3-5-12(10)9-20-15(17-18-19-20)14-8-13(16)7-6-11(14)2/h6-8,10,12H,3-5,9,16H2,1-2H3
InChIKeyMUAGSPPKCSIJAE-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.67
Rot. Bonds3

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

4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline (PubChem CID 107420425) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
PubChem CID107420425
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
SMILESCc1ccc(N)cc1-c1nnnn1CC1CCCC1C
InChIInChI=1S/C15H21N5/c1-10-4-3-5-12(10)9-20-15(17-18-19-20)14-8-13(16)7-6-11(14)2/h6-8,10,12H,3-5,9,16H2,1-2H3
InChIKeyMUAGSPPKCSIJAE-UHFFFAOYSA-N
XLogP2.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline (CID 107420425) is 4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline is Cc1ccc(N)cc1-c1nnnn1CC1CCCC1C.
What is the InChIKey of 4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is MUAGSPPKCSIJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-4-3-5-12(10)9-20-15(17-18-19-20)14-8-13(16)7-6-11(14)2/h6-8,10,12H,3-5,9,16H2,1-2H3.
What are the key properties of 4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 271.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 107420425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).