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

C15H31NO — CID 55131214

IUPAC1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine
SMILESCCCCC(CC)CC1(CNC)CCOCC1
InChIInChI=1S/C15H31NO/c1-4-6-7-14(5-2)12-15(13-16-3)8-10-17-11-9-15/h14,16H,4-13H2,1-3H3
InChIKeyBTLTVIWYXUSUKF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds8

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

1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine (PubChem CID 55131214) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine
PubChem CID55131214
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine
SMILESCCCCC(CC)CC1(CNC)CCOCC1
InChIInChI=1S/C15H31NO/c1-4-6-7-14(5-2)12-15(13-16-3)8-10-17-11-9-15/h14,16H,4-13H2,1-3H3
InChIKeyBTLTVIWYXUSUKF-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-ethylhexyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62906281
1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine
CID 63507882
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
CID 62905014
1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine
CID 82930955
N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65195011
3-(bromomethyl)-3-(2-ethylhexyl)oxane
CID 66042471
3-(chloromethyl)-3-(2-ethylhexyl)oxane
CID 66033685
1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine
CID 62907290
[4-(2-ethylhexoxy)oxan-4-yl]methanamine
CID 65051972
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
4-amino-N-(2-ethylhexyl)oxane-4-carboxamide
CID 113280697
N-methyl-1-[1-(2-methylpentyl)cyclopentyl]methanamine
CID 62724996

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine (CID 55131214) is 1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine is CCCCC(CC)CC1(CNC)CCOCC1.
What is the InChIKey of 1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine?
The InChIKey is BTLTVIWYXUSUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-7-14(5-2)12-15(13-16-3)8-10-17-11-9-15/h14,16H,4-13H2,1-3H3.
What are the key properties of 1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine?
1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 55131214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).