[2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine

C16H32N2O — CID 79927957

IUPAC[2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine
SMILESCC1CCCCCN1C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H32N2O/c1-13-9-7-6-8-10-18(13)16(12-17)11-14(2,3)19-15(16,4)5/h13H,6-12,17H2,1-5H3
InChIKeyWSSQYZOSCUOHII-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.93
Rot. Bonds2

About [2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine

[2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine (PubChem CID 79927957) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine
PubChem CID79927957
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine
SMILESCC1CCCCCN1C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H32N2O/c1-13-9-7-6-8-10-18(13)16(12-17)11-14(2,3)19-15(16,4)5/h13H,6-12,17H2,1-5H3
InChIKeyWSSQYZOSCUOHII-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine?
The IUPAC name of [2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine (CID 79927957) is [2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine is CC1CCCCCN1C1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of [2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine?
The InChIKey is WSSQYZOSCUOHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-9-7-6-8-10-18(13)16(12-17)11-14(2,3)19-15(16,4)5/h13H,6-12,17H2,1-5H3.
What are the key properties of [2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine?
[2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,5,5-tetramethyl-3-(2-methylazepan-1-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 79927957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).