N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine

C15H20N4 — CID 61311558

IUPACN'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCc1cccc(N(CCCN)c2ccc(C)nn2)c1
InChIInChI=1S/C15H20N4/c1-12-5-3-6-14(11-12)19(10-4-9-16)15-8-7-13(2)17-18-15/h3,5-8,11H,4,9-10,16H2,1-2H3
InChIKeyRYZABYPQNBDPFN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.58
Rot. Bonds5

About N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine

N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine (PubChem CID 61311558) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine
PubChem CID61311558
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCc1cccc(N(CCCN)c2ccc(C)nn2)c1
InChIInChI=1S/C15H20N4/c1-12-5-3-6-14(11-12)19(10-4-9-16)15-8-7-13(2)17-18-15/h3,5-8,11H,4,9-10,16H2,1-2H3
InChIKeyRYZABYPQNBDPFN-UHFFFAOYSA-N
XLogP2.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 104606031
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877179
N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698006
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61076372
N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43136251
N'-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116973263
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113051444
N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 106825939
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine?
The IUPAC name of N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine (CID 61311558) is N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine is Cc1cccc(N(CCCN)c2ccc(C)nn2)c1.
What is the InChIKey of N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine?
The InChIKey is RYZABYPQNBDPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-5-3-6-14(11-12)19(10-4-9-16)15-8-7-13(2)17-18-15/h3,5-8,11H,4,9-10,16H2,1-2H3.
What are the key properties of N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine?
N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N'-(6-methylpyridazin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 61311558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).