[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine

C13H21N3O — CID 63886681

IUPAC[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
SMILESCCC1CN(Cc2ccnc(CN)c2)CCO1
InChIInChI=1S/C13H21N3O/c1-2-13-10-16(5-6-17-13)9-11-3-4-15-12(7-11)8-14/h3-4,7,13H,2,5-6,8-10,14H2,1H3
InChIKeyVBPHWSNNEQXJTO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.15
Rot. Bonds4

About [4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine

[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 63886681) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
PubChem CID63886681
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
SMILESCCC1CN(Cc2ccnc(CN)c2)CCO1
InChIInChI=1S/C13H21N3O/c1-2-13-10-16(5-6-17-13)9-11-3-4-15-12(7-11)8-14/h3-4,7,13H,2,5-6,8-10,14H2,1H3
InChIKeyVBPHWSNNEQXJTO-UHFFFAOYSA-N
XLogP1.15
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
CID 63882475
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
CID 114394884
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 113417036
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63888264
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
[4-[(2-hydrazinyl-4-pyridinyl)methyl]morpholin-2-yl]methanol
CID 81213030
4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182229
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine (CID 63886681) is [4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine is CCC1CN(Cc2ccnc(CN)c2)CCO1.
What is the InChIKey of [4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is VBPHWSNNEQXJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-13-10-16(5-6-17-13)9-11-3-4-15-12(7-11)8-14/h3-4,7,13H,2,5-6,8-10,14H2,1H3.
What are the key properties of [4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine?
[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63886681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).