N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine

C15H25N3O — CID 121358962

IUPACN-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1COCC(CNCc2ccncc2)C1
InChIInChI=1S/C15H25N3O/c1-2-16-9-14-7-15(12-19-11-14)10-18-8-13-3-5-17-6-4-13/h3-6,14-16,18H,2,7-12H2,1H3
InChIKeyVAXCBCREIBXBQM-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.43
Rot. Bonds7

About N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine

N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine (PubChem CID 121358962) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine
PubChem CID121358962
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1COCC(CNCc2ccncc2)C1
InChIInChI=1S/C15H25N3O/c1-2-16-9-14-7-15(12-19-11-14)10-18-8-13-3-5-17-6-4-13/h3-6,14-16,18H,2,7-12H2,1H3
InChIKeyVAXCBCREIBXBQM-UHFFFAOYSA-N
XLogP1.43
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766
1-(3-chlorocyclobutyl)-N-(pyridin-4-ylmethyl)methanamine
CID 66006072
cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine
CID 70106759
4-(oxetan-3-ylmethyl)pyridine
CID 129452903
(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
CID 93384643
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 124890461
N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887414
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
N-(pyridazin-4-ylmethyl)ethanamine
CID 89018615

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine (CID 121358962) is N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine is CCNCC1COCC(CNCc2ccncc2)C1.
What is the InChIKey of N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine?
The InChIKey is VAXCBCREIBXBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-16-9-14-7-15(12-19-11-14)10-18-8-13-3-5-17-6-4-13/h3-6,14-16,18H,2,7-12H2,1H3.
What are the key properties of N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine?
N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 121358962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).