4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine

C12H20N4O — CID 114399235

IUPAC4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
SMILESCCN1CCOC(CNc2ccncc2N)C1
InChIInChI=1S/C12H20N4O/c1-2-16-5-6-17-10(9-16)7-15-12-3-4-14-8-11(12)13/h3-4,8,10H,2,5-7,9,13H2,1H3,(H,14,15)
InChIKeyNADDIOPPMSCRSH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.80
Rot. Bonds4

About 4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine

4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine (PubChem CID 114399235) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
PubChem CID114399235
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
SMILESCCN1CCOC(CNc2ccncc2N)C1
InChIInChI=1S/C12H20N4O/c1-2-16-5-6-17-10(9-16)7-15-12-3-4-14-8-11(12)13/h3-4,8,10H,2,5-7,9,13H2,1H3,(H,14,15)
InChIKeyNADDIOPPMSCRSH-UHFFFAOYSA-N
XLogP0.80
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
N-[(4-ethylmorpholin-2-yl)methyl]quinolin-4-amine
CID 115620947
1-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluorobenzene-1,2-diamine
CID 114399471
4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine
CID 114401447
7-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-1,5-naphthyridin-4-amine
CID 116646580
methyl 3-amino-4-[(4-ethylmorpholin-2-yl)methylamino]benzoate
CID 114401093
2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile
CID 114399276
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
N-[(4-ethylmorpholin-2-yl)methyl]-4-propylaniline
CID 79166530
1-(4-ethylmorpholin-2-yl)-N-(pyrazin-2-ylmethyl)methanamine
CID 114399662
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
CID 79166538
5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114401101

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine (CID 114399235) is 4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine is CCN1CCOC(CNc2ccncc2N)C1.
What is the InChIKey of 4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine?
The InChIKey is NADDIOPPMSCRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16-5-6-17-10(9-16)7-15-12-3-4-14-8-11(12)13/h3-4,8,10H,2,5-7,9,13H2,1H3,(H,14,15).
What are the key properties of 4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine?
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 114399235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).