1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine

C14H28N2O — CID 62392836

IUPAC1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCCC1CCCN1CC1(CNC)CCOCC1
InChIInChI=1S/C14H28N2O/c1-3-13-5-4-8-16(13)12-14(11-15-2)6-9-17-10-7-14/h13,15H,3-12H2,1-2H3
InChIKeyLANDDIVRWVPMOA-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About 1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine

1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine (PubChem CID 62392836) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
PubChem CID62392836
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCCC1CCCN1CC1(CNC)CCOCC1
InChIInChI=1S/C14H28N2O/c1-3-13-5-4-8-16(13)12-14(11-15-2)6-9-17-10-7-14/h13,15H,3-12H2,1-2H3
InChIKeyLANDDIVRWVPMOA-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 83061995
N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine
CID 62889038
1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 104691941
1-[4-[(2,3-dimethylpiperidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392017
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62278171
N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 83045767
3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479395
N,N-dimethyl-1-[1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanamine
CID 62888681
N-[[4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62889036
[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 83062160
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390224
1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 62392564

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine (CID 62392836) is 1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine is CCC1CCCN1CC1(CNC)CCOCC1.
What is the InChIKey of 1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine?
The InChIKey is LANDDIVRWVPMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-13-5-4-8-16(13)12-14(11-15-2)6-9-17-10-7-14/h13,15H,3-12H2,1-2H3.
What are the key properties of 1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine?
1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62392836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).