2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline

C15H19N5 — CID 61482591

IUPAC2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline
SMILESCc1cccc(-c2nnnn2C(C2CC2)C2CC2)c1N
InChIInChI=1S/C15H19N5/c1-9-3-2-4-12(13(9)16)15-17-18-19-20(15)14(10-5-6-10)11-7-8-11/h2-4,10-11,14H,5-8,16H2,1H3
InChIKeyIYOZBKZGYIUOGC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.59
Rot. Bonds4

About 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline

2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline (PubChem CID 61482591) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline.

Molecular Properties

Compound Name2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline
PubChem CID61482591
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline
SMILESCc1cccc(-c2nnnn2C(C2CC2)C2CC2)c1N
InChIInChI=1S/C15H19N5/c1-9-3-2-4-12(13(9)16)15-17-18-19-20(15)14(10-5-6-10)11-7-8-11/h2-4,10-11,14H,5-8,16H2,1H3
InChIKeyIYOZBKZGYIUOGC-UHFFFAOYSA-N
XLogP2.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
CID 65456225
2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
CID 113485909
2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-6-methylaniline
CID 62087389
2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline
CID 115547874
2-[1-(2,3-dimethylbutyl)tetrazol-5-yl]-6-methylaniline
CID 64599453
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline
CID 62694901
2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 61352693
3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline
CID 62406509
2-[1-(3-bromo-2-methylphenyl)tetrazol-5-yl]-6-methylaniline
CID 107638706
3-chloro-4-[1-(1-cyclopropylethyl)tetrazol-5-yl]aniline
CID 61376821
4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline
CID 61376822
5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706366

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline?
The IUPAC name of 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline (CID 61482591) is 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline.
What is the SMILES notation for 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline?
The canonical SMILES for 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline is Cc1cccc(-c2nnnn2C(C2CC2)C2CC2)c1N.
What is the InChIKey of 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline?
The InChIKey is IYOZBKZGYIUOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-9-3-2-4-12(13(9)16)15-17-18-19-20(15)14(10-5-6-10)11-7-8-11/h2-4,10-11,14H,5-8,16H2,1H3.
What are the key properties of 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline?
2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline has a molecular weight of 269.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-6-methylaniline is sourced from PubChem (CID 61482591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).