[4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine

C17H33NO2 — CID 43428833

IUPAC[4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(OCC2CCCO2)C1
InChIInChI=1S/C17H33NO2/c1-4-17(2,3)14-8-7-13(11-18)16(10-14)20-12-15-6-5-9-19-15/h13-16H,4-12,18H2,1-3H3
InChIKeyZFTCWJKUDQBGBB-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.36
Rot. Bonds6

About [4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine (PubChem CID 43428833) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
PubChem CID43428833
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name[4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(OCC2CCCO2)C1
InChIInChI=1S/C17H33NO2/c1-4-17(2,3)14-8-7-13(11-18)16(10-14)20-12-15-6-5-9-19-15/h13-16H,4-12,18H2,1-3H3
InChIKeyZFTCWJKUDQBGBB-UHFFFAOYSA-N
XLogP3.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine with MolForge

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Related Compounds

[4-tert-butyl-2-(oxan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428876
[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43294253
[4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine
CID 43428856
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444
2-methoxy-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
CID 104674491
[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine
CID 81012372
2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433986
2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106200952
2-(cyclohexylmethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63466844
2-cyclopropyl-1-(oxolan-2-yl)propan-2-amine
CID 82237698
2-(oxan-2-ylmethoxy)cyclododecan-1-amine
CID 43099703
2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
CID 104676182

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine (CID 43428833) is [4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(OCC2CCCO2)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine?
The InChIKey is ZFTCWJKUDQBGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-17(2,3)14-8-7-13(11-18)16(10-14)20-12-15-6-5-9-19-15/h13-16H,4-12,18H2,1-3H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine has a molecular weight of 283.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).