N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine

C14H22N4O — CID 94391222

IUPACN-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine
SMILESC[C@@H]1CN(c2ccc(CNC3CC3)nn2)C[C@H](C)O1
InChIInChI=1S/C14H22N4O/c1-10-8-18(9-11(2)19-10)14-6-5-13(16-17-14)7-15-12-3-4-12/h5-6,10-12,15H,3-4,7-9H2,1-2H3/t10-,11+
InChIKeyZRLKMUPPIYDRBI-PHIMTYICSA-N
MW262.36 g/mol
LogP1.34
Rot. Bonds4

About N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine

N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine (PubChem CID 94391222) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine
PubChem CID94391222
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine
SMILESC[C@@H]1CN(c2ccc(CNC3CC3)nn2)C[C@H](C)O1
InChIInChI=1S/C14H22N4O/c1-10-8-18(9-11(2)19-10)14-6-5-13(16-17-14)7-15-12-3-4-12/h5-6,10-12,15H,3-4,7-9H2,1-2H3/t10-,11+
InChIKeyZRLKMUPPIYDRBI-PHIMTYICSA-N
XLogP1.34
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine (CID 94391222) is N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine is C[C@@H]1CN(c2ccc(CNC3CC3)nn2)C[C@H](C)O1.
What is the InChIKey of N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine?
The InChIKey is ZRLKMUPPIYDRBI-PHIMTYICSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-18(9-11(2)19-10)14-6-5-13(16-17-14)7-15-12-3-4-12/h5-6,10-12,15H,3-4,7-9H2,1-2H3/t10-,11+.
What are the key properties of N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine?
N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine has a molecular weight of 262.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 94391222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).