4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine

C14H20N6 — CID 61353836

IUPAC4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine
SMILESCC1CCCC(n2nnnc2-c2ccc(N)cc2N)C1
InChIInChI=1S/C14H20N6/c1-9-3-2-4-11(7-9)20-14(17-18-19-20)12-6-5-10(15)8-13(12)16/h5-6,8-9,11H,2-4,7,15-16H2,1H3
InChIKeyCPYQMECSKFPBPX-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.26
Rot. Bonds2

About 4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine

4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine (PubChem CID 61353836) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine
PubChem CID61353836
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine
SMILESCC1CCCC(n2nnnc2-c2ccc(N)cc2N)C1
InChIInChI=1S/C14H20N6/c1-9-3-2-4-11(7-9)20-14(17-18-19-20)12-6-5-10(15)8-13(12)16/h5-6,8-9,11H,2-4,7,15-16H2,1H3
InChIKeyCPYQMECSKFPBPX-UHFFFAOYSA-N
XLogP2.26
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550866
2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61353432
2-chloro-6-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline
CID 115547862
4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline
CID 62414238
4,5-difluoro-2-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550868
3-chloro-4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 64733486
3-(1-cyclooctyltetrazol-5-yl)-4-methylaniline
CID 61353650
3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline
CID 64743598
2-(1-cyclobutyltetrazol-5-yl)-4-methylaniline
CID 65454710
4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline
CID 61378718
3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline
CID 61353453
3-[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]-4-methylaniline
CID 63998779

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine?
The IUPAC name of 4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine (CID 61353836) is 4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine.
What is the SMILES notation for 4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine?
The canonical SMILES for 4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine is CC1CCCC(n2nnnc2-c2ccc(N)cc2N)C1.
What is the InChIKey of 4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine?
The InChIKey is CPYQMECSKFPBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-9-3-2-4-11(7-9)20-14(17-18-19-20)12-6-5-10(15)8-13(12)16/h5-6,8-9,11H,2-4,7,15-16H2,1H3.
What are the key properties of 4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine?
4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine has a molecular weight of 272.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine is sourced from PubChem (CID 61353836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).