cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C16H31NO — CID 114623154

IUPACcycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)C2CCCCCC2)C(C)(C)O1
InChIInChI=1S/C16H31NO/c1-15(2)11-13(16(3,4)18-15)14(17)12-9-7-5-6-8-10-12/h12-14H,5-11,17H2,1-4H3
InChIKeyGYXZHMDLXYDEBO-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.88
Rot. Bonds2

About cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114623154) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Namecycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114623154
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Namecycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)C2CCCCCC2)C(C)(C)O1
InChIInChI=1S/C16H31NO/c1-15(2)11-13(16(3,4)18-15)14(17)12-9-7-5-6-8-10-12/h12-14H,5-11,17H2,1-4H3
InChIKeyGYXZHMDLXYDEBO-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622899
3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052985
N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114622881
1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623179
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 79933888
2-cyclopropyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114623524
N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81391451
oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622044
cycloheptyl(cyclohexyl)methanamine
CID 65399873
[2,2-difluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]hydrazine
CID 105265218
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
2-N,2-N,2-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,2-diamine
CID 114623219

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114623154) is cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CC1(C)CC(C(N)C2CCCCCC2)C(C)(C)O1.
What is the InChIKey of cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is GYXZHMDLXYDEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2)11-13(16(3,4)18-15)14(17)12-9-7-5-6-8-10-12/h12-14H,5-11,17H2,1-4H3.
What are the key properties of cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 253.43 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114623154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).