3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline

C15H21N5 — CID 61354468

IUPAC3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline
SMILESCc1c(N)cccc1-c1nnnn1C1CCCCCC1
InChIInChI=1S/C15H21N5/c1-11-13(9-6-10-14(11)16)15-17-18-19-20(15)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,16H2,1H3
InChIKeyQRZCZNDICKBQIY-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.13
Rot. Bonds2

About 3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline

3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline (PubChem CID 61354468) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline.

Molecular Properties

Compound Name3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline
PubChem CID61354468
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline
SMILESCc1c(N)cccc1-c1nnnn1C1CCCCCC1
InChIInChI=1S/C15H21N5/c1-11-13(9-6-10-14(11)16)15-17-18-19-20(15)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,16H2,1H3
InChIKeyQRZCZNDICKBQIY-UHFFFAOYSA-N
XLogP3.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.13
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-methyl-3-[1-(oxan-3-yl)tetrazol-5-yl]aniline
CID 63361626
3-[1-(4-ethylcyclohexyl)tetrazol-5-yl]-2-methylaniline
CID 61470054
3-(1-cyclooctyltetrazol-5-yl)-4-methylaniline
CID 61353650
2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline
CID 61354470
2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline
CID 61376382
3-(1-cyclohexyltetrazol-5-yl)aniline
CID 61351420
2-(1-cyclobutyltetrazol-5-yl)-4-methylaniline
CID 65454710
3-[1-(cyclobutylmethyl)tetrazol-5-yl]-2-methylaniline
CID 61353230
3-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-2-methylaniline
CID 43509449
3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline
CID 61353453
3-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]-2-methylaniline
CID 65039057
4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline
CID 61378718

Frequently Asked Questions

What is the IUPAC name of 3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline?
The IUPAC name of 3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline (CID 61354468) is 3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline.
What is the SMILES notation for 3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline?
The canonical SMILES for 3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline is Cc1c(N)cccc1-c1nnnn1C1CCCCCC1.
What is the InChIKey of 3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline?
The InChIKey is QRZCZNDICKBQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-13(9-6-10-14(11)16)15-17-18-19-20(15)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,16H2,1H3.
What are the key properties of 3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline?
3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline has a molecular weight of 271.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline is sourced from PubChem (CID 61354468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).