N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine

C16H27N3O — CID 103060638

IUPACN-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)Cc1cccc(C)n1
InChIInChI=1S/C16H27N3O/c1-4-17-16-8-9-20-12-14(16)10-19(3)11-15-7-5-6-13(2)18-15/h5-7,14,16-17H,4,8-12H2,1-3H3
InChIKeyASDXBIXLPGZBMW-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.84
Rot. Bonds6

About N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine

N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine (PubChem CID 103060638) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine
PubChem CID103060638
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)Cc1cccc(C)n1
InChIInChI=1S/C16H27N3O/c1-4-17-16-8-9-20-12-14(16)10-19(3)11-15-7-5-6-13(2)18-15/h5-7,14,16-17H,4,8-12H2,1-3H3
InChIKeyASDXBIXLPGZBMW-UHFFFAOYSA-N
XLogP1.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827
N,N'-dimethyl-N'-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746836
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060650
N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 103059662
N-methyl-2-(6-methyl-2-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 131932722
N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine
CID 103059424
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine
CID 103059446
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177512
N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906637

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine (CID 103060638) is N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine is CCNC1CCOCC1CN(C)Cc1cccc(C)n1.
What is the InChIKey of N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine?
The InChIKey is ASDXBIXLPGZBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-17-16-8-9-20-12-14(16)10-19(3)11-15-7-5-6-13(2)18-15/h5-7,14,16-17H,4,8-12H2,1-3H3.
What are the key properties of N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine?
N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine has a molecular weight of 277.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine is sourced from PubChem (CID 103060638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).