4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine

C17H30N4 — CID 80508147

IUPAC4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine
SMILESCCc1nnc(N(C)C2CCC(C)CC2)c(CN)c1CC
InChIInChI=1S/C17H30N4/c1-5-14-15(11-18)17(20-19-16(14)6-2)21(4)13-9-7-12(3)8-10-13/h12-13H,5-11,18H2,1-4H3
InChIKeyYPXOFPHGQHCCGZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds5

About 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine

4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine (PubChem CID 80508147) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine
PubChem CID80508147
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine
SMILESCCc1nnc(N(C)C2CCC(C)CC2)c(CN)c1CC
InChIInChI=1S/C17H30N4/c1-5-14-15(11-18)17(20-19-16(14)6-2)21(4)13-9-7-12(3)8-10-13/h12-13H,5-11,18H2,1-4H3
InChIKeyYPXOFPHGQHCCGZ-UHFFFAOYSA-N
XLogP3.08
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine (CID 80508147) is 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine is CCc1nnc(N(C)C2CCC(C)CC2)c(CN)c1CC.
What is the InChIKey of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine?
The InChIKey is YPXOFPHGQHCCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-14-15(11-18)17(20-19-16(14)6-2)21(4)13-9-7-12(3)8-10-13/h12-13H,5-11,18H2,1-4H3.
What are the key properties of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine?
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine is sourced from PubChem (CID 80508147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).