N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine

C17H29N3O — CID 62390449

IUPACN-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN(CC)Cc2ccncc2)CCOCC1
InChIInChI=1S/C17H29N3O/c1-3-18-14-17(7-11-21-12-8-17)15-20(4-2)13-16-5-9-19-10-6-16/h5-6,9-10,18H,3-4,7-8,11-15H2,1-2H3
InChIKeyMAHVGHBWGBBWMW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.31
Rot. Bonds8

About N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine

N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 62390449) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine
PubChem CID62390449
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN(CC)Cc2ccncc2)CCOCC1
InChIInChI=1S/C17H29N3O/c1-3-18-14-17(7-11-21-12-8-17)15-20(4-2)13-16-5-9-19-10-6-16/h5-6,9-10,18H,3-4,7-8,11-15H2,1-2H3
InChIKeyMAHVGHBWGBBWMW-UHFFFAOYSA-N
XLogP2.31
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62259384
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62391166
N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62222040
N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556276
N-[[3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255991
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-yl]methyl]ethanamine
CID 62390459
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline
CID 115913110
2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol
CID 62392546
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 54948256

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine (CID 62390449) is N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN(CC)Cc2ccncc2)CCOCC1.
What is the InChIKey of N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is MAHVGHBWGBBWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-18-14-17(7-11-21-12-8-17)15-20(4-2)13-16-5-9-19-10-6-16/h5-6,9-10,18H,3-4,7-8,11-15H2,1-2H3.
What are the key properties of N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62390449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).