4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine

C15H29NO — CID 114622240

IUPAC4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C15H29NO/c1-11-6-8-15(16,9-7-11)12-10-13(2,3)17-14(12,4)5/h11-12H,6-10,16H2,1-5H3
InChIKeyCSOHSZIAJOMOOG-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.49
Rot. Bonds1

About 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine

4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine (PubChem CID 114622240) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
PubChem CID114622240
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C15H29NO/c1-11-6-8-15(16,9-7-11)12-10-13(2,3)17-14(12,4)5/h11-12H,6-10,16H2,1-5H3
InChIKeyCSOHSZIAJOMOOG-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine (CID 114622240) is 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine is CC1CCC(N)(C2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine?
The InChIKey is CSOHSZIAJOMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-6-8-15(16,9-7-11)12-10-13(2,3)17-14(12,4)5/h11-12H,6-10,16H2,1-5H3.
What are the key properties of 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine?
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 114622240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).