[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine

C14H27N5S — CID 43530201

IUPAC[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(Sc2nnnn2C)C1
InChIInChI=1S/C14H27N5S/c1-5-14(2,3)11-7-6-10(9-15)12(8-11)20-13-16-17-18-19(13)4/h10-12H,5-9,15H2,1-4H3
InChIKeyDFQLEYBZZLZWOE-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.48
Rot. Bonds5

About [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine (PubChem CID 43530201) has the molecular formula C14H27N5S and a molecular weight of 297.47 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine
PubChem CID43530201
Molecular FormulaC14H27N5S
Molecular Weight297.47 g/mol
Exact Mass297.20
IUPAC Name[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(Sc2nnnn2C)C1
InChIInChI=1S/C14H27N5S/c1-5-14(2,3)11-7-6-10(9-15)12(8-11)20-13-16-17-18-19(13)4/h10-12H,5-9,15H2,1-4H3
InChIKeyDFQLEYBZZLZWOE-UHFFFAOYSA-N
XLogP2.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine with MolForge

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Related Compounds

4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylic acid
CID 63100294
[4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 60876381
[4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine
CID 43530656
[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43530062
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine
CID 43530581
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine
CID 64621182
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-propylcyclohexyl]methanamine
CID 63404646
[4-tert-butyl-2-(2,5-dimethylpyrazol-3-yl)sulfanylcyclohexyl]methanamine
CID 62410513
trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732739
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 60714690
4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine
CID 64628286
N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine
CID 64620213

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine (CID 43530201) is [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(Sc2nnnn2C)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine?
The InChIKey is DFQLEYBZZLZWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5S/c1-5-14(2,3)11-7-6-10(9-15)12(8-11)20-13-16-17-18-19(13)4/h10-12H,5-9,15H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine has a molecular weight of 297.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine is sourced from PubChem (CID 43530201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).