1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine

C14H22N4 — CID 65324660

IUPAC1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCCC3CCCC32)nn1
InChIInChI=1S/C14H22N4/c1-15-10-12-7-8-14(17-16-12)18-9-3-5-11-4-2-6-13(11)18/h7-8,11,13,15H,2-6,9-10H2,1H3
InChIKeyAUOPOXMGKMTQBL-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.96
Rot. Bonds3

About 1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine

1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine (PubChem CID 65324660) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine
PubChem CID65324660
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCCC3CCCC32)nn1
InChIInChI=1S/C14H22N4/c1-15-10-12-7-8-14(17-16-12)18-9-3-5-11-4-2-6-13(11)18/h7-8,11,13,15H,2-6,9-10H2,1H3
InChIKeyAUOPOXMGKMTQBL-UHFFFAOYSA-N
XLogP1.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine
CID 82751652
1-[6-(2-cyclopentylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62294232
1-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine
CID 62279015
[6-(2-methylpyrrolidin-1-yl)pyridazin-3-yl]methanamine
CID 62299628
1-[6-(2,6-dimethylmorpholin-4-yl)pyridazin-3-yl]-N-methylmethanamine
CID 55054944
1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81246932
N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62285071
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine
CID 80843359
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 65324562
N-[[6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 62888182
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380430
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
CID 65318914

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine (CID 65324660) is 1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine is CNCc1ccc(N2CCCC3CCCC32)nn1.
What is the InChIKey of 1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine?
The InChIKey is AUOPOXMGKMTQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-15-10-12-7-8-14(17-16-12)18-9-3-5-11-4-2-6-13(11)18/h7-8,11,13,15H,2-6,9-10H2,1H3.
What are the key properties of 1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine?
1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine has a molecular weight of 246.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyridazin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 65324660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).