2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine

C16H32N2O — CID 82835219

IUPAC2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
SMILESCC1CCC(C(CN)N2CCCC(C(C)C)CC2)O1
InChIInChI=1S/C16H32N2O/c1-12(2)14-5-4-9-18(10-8-14)15(11-17)16-7-6-13(3)19-16/h12-16H,4-11,17H2,1-3H3
InChIKeyAIBAFWJWWWBHNU-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds4

About 2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine

2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine (PubChem CID 82835219) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
PubChem CID82835219
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
SMILESCC1CCC(C(CN)N2CCCC(C(C)C)CC2)O1
InChIInChI=1S/C16H32N2O/c1-12(2)14-5-4-9-18(10-8-14)15(11-17)16-7-6-13(3)19-16/h12-16H,4-11,17H2,1-3H3
InChIKeyAIBAFWJWWWBHNU-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
The IUPAC name of 2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine (CID 82835219) is 2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine is CC1CCC(C(CN)N2CCCC(C(C)C)CC2)O1.
What is the InChIKey of 2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
The InChIKey is AIBAFWJWWWBHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)14-5-4-9-18(10-8-14)15(11-17)16-7-6-13(3)19-16/h12-16H,4-11,17H2,1-3H3.
What are the key properties of 2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyloxolan-2-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine is sourced from PubChem (CID 82835219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).