3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline

C21H25N5 — CID 30310073

IUPAC3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
SMILESCc1cc(C)cc(NC2(c3nnnn3-c3ccccc3)CCCCC2)c1
InChIInChI=1S/C21H25N5/c1-16-13-17(2)15-18(14-16)22-21(11-7-4-8-12-21)20-23-24-25-26(20)19-9-5-3-6-10-19/h3,5-6,9-10,13-15,22H,4,7-8,11-12H2,1-2H3
InChIKeyAKBLLRBXCBOCTQ-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.55
Rot. Bonds4

About 3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline

3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline (PubChem CID 30310073) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
PubChem CID30310073
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
SMILESCc1cc(C)cc(NC2(c3nnnn3-c3ccccc3)CCCCC2)c1
InChIInChI=1S/C21H25N5/c1-16-13-17(2)15-18(14-16)22-21(11-7-4-8-12-21)20-23-24-25-26(20)19-9-5-3-6-10-19/h3,5-6,9-10,13-15,22H,4,7-8,11-12H2,1-2H3
InChIKeyAKBLLRBXCBOCTQ-UHFFFAOYSA-N
XLogP4.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 40530101
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 50812242
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30309923
N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
CID 30312000
ethyl 3-[5-[1-(3,5-dimethylanilino)-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312601
1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311681
4-bromo-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 2829520
3-bromo-4-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 3560575

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
The IUPAC name of 3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline (CID 30310073) is 3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline.
What is the SMILES notation for 3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
The canonical SMILES for 3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline is Cc1cc(C)cc(NC2(c3nnnn3-c3ccccc3)CCCCC2)c1.
What is the InChIKey of 3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
The InChIKey is AKBLLRBXCBOCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-13-17(2)15-18(14-16)22-21(11-7-4-8-12-21)20-23-24-25-26(20)19-9-5-3-6-10-19/h3,5-6,9-10,13-15,22H,4,7-8,11-12H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline has a molecular weight of 347.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline is sourced from PubChem (CID 30310073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).