1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine

C16H32N2O — CID 104691941

IUPAC1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
SMILESCCC1CCCCCN1CC1(CNC)CCCOC1
InChIInChI=1S/C16H32N2O/c1-3-15-8-5-4-6-10-18(15)13-16(12-17-2)9-7-11-19-14-16/h15,17H,3-14H2,1-2H3
InChIKeyVPFXEQLQLZLROI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds5

About 1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine

1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine (PubChem CID 104691941) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
PubChem CID104691941
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
SMILESCCC1CCCCCN1CC1(CNC)CCCOC1
InChIInChI=1S/C16H32N2O/c1-3-15-8-5-4-6-10-18(15)13-16(12-17-2)9-7-11-19-14-16/h15,17H,3-14H2,1-2H3
InChIKeyVPFXEQLQLZLROI-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63739412
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 55242233
1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392836
N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 104691962
N-[[3-[(2-propylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 83045766
[1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740867
[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol
CID 116638187
N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 83061995
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62278171
[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740868
N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine
CID 79917830
[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol
CID 111976477

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine (CID 104691941) is 1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine is CCC1CCCCCN1CC1(CNC)CCCOC1.
What is the InChIKey of 1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine?
The InChIKey is VPFXEQLQLZLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-15-8-5-4-6-10-18(15)13-16(12-17-2)9-7-11-19-14-16/h15,17H,3-14H2,1-2H3.
What are the key properties of 1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine?
1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 104691941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).