1-(2,3-dimethylcyclohexyl)-5-iodotetrazole

C9H15IN4 — CID 71425658

IUPAC1-(2,3-dimethylcyclohexyl)-5-iodotetrazole
SMILESCC1CCCC(n2nnnc2I)C1C
InChIInChI=1S/C9H15IN4/c1-6-4-3-5-8(7(6)2)14-9(10)11-12-13-14/h6-8H,3-5H2,1-2H3
InChIKeyPFUKTQRIGUKTBD-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.27
Rot. Bonds1

About 1-(2,3-dimethylcyclohexyl)-5-iodotetrazole

1-(2,3-dimethylcyclohexyl)-5-iodotetrazole (PubChem CID 71425658) has the molecular formula C9H15IN4 and a molecular weight of 306.15 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-5-iodotetrazole.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-5-iodotetrazole
PubChem CID71425658
Molecular FormulaC9H15IN4
Molecular Weight306.15 g/mol
Exact Mass306.03
IUPAC Name1-(2,3-dimethylcyclohexyl)-5-iodotetrazole
SMILESCC1CCCC(n2nnnc2I)C1C
InChIInChI=1S/C9H15IN4/c1-6-4-3-5-8(7(6)2)14-9(10)11-12-13-14/h6-8H,3-5H2,1-2H3
InChIKeyPFUKTQRIGUKTBD-UHFFFAOYSA-N
XLogP2.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-1-(2,3-dimethylcyclohexyl)tetrazole
CID 62736609
5-iodo-1-(4-methylcyclohexyl)tetrazole
CID 71425663
2-[1-(2,3-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 61351822
1-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]ethanamine
CID 103086374
5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole
CID 62736611
4-bromo-1-(2,3-dimethylcyclohexyl)-3-methylpyrazol-5-amine
CID 64761934
N-[[1-(2-methylcyclopentyl)tetrazol-5-yl]methyl]propan-1-amine
CID 63281708
3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline
CID 64921084
2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid
CID 82228275
N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737427
4-bromo-3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline
CID 64923451
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-5-iodotetrazole?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-5-iodotetrazole (CID 71425658) is 1-(2,3-dimethylcyclohexyl)-5-iodotetrazole.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-5-iodotetrazole?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-5-iodotetrazole is CC1CCCC(n2nnnc2I)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-5-iodotetrazole?
The InChIKey is PFUKTQRIGUKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN4/c1-6-4-3-5-8(7(6)2)14-9(10)11-12-13-14/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(2,3-dimethylcyclohexyl)-5-iodotetrazole?
1-(2,3-dimethylcyclohexyl)-5-iodotetrazole has a molecular weight of 306.15 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-5-iodotetrazole is sourced from PubChem (CID 71425658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).