N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine

C16H26N4O — CID 102745891

IUPACN-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCC1(C)CN(c2ccc(CNC3CC3)nn2)CC(C)(C)O1
InChIInChI=1S/C16H26N4O/c1-15(2)10-20(11-16(3,4)21-15)14-8-7-13(18-19-14)9-17-12-5-6-12/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyKSTPIVZSTDTCRD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.12
Rot. Bonds4

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

N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine (PubChem CID 102745891) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine
PubChem CID102745891
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCC1(C)CN(c2ccc(CNC3CC3)nn2)CC(C)(C)O1
InChIInChI=1S/C16H26N4O/c1-15(2)10-20(11-16(3,4)21-15)14-8-7-13(18-19-14)9-17-12-5-6-12/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyKSTPIVZSTDTCRD-UHFFFAOYSA-N
XLogP2.12
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine (CID 102745891) is N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine is CC1(C)CN(c2ccc(CNC3CC3)nn2)CC(C)(C)O1.
What is the InChIKey of N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine?
The InChIKey is KSTPIVZSTDTCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-15(2)10-20(11-16(3,4)21-15)14-8-7-13(18-19-14)9-17-12-5-6-12/h7-8,12,17H,5-6,9-11H2,1-4H3.
What are the key properties of N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine?
N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine has a molecular weight of 290.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102745891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).