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

C15H26N4 — CID 61313714

IUPACN'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCc1ccc(NCCCN(C)C2CCCCC2)nn1
InChIInChI=1S/C15H26N4/c1-13-9-10-15(18-17-13)16-11-6-12-19(2)14-7-4-3-5-8-14/h9-10,14H,3-8,11-12H2,1-2H3,(H,16,18)
InChIKeyRDGCCRPICXDNES-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.85
Rot. Bonds6

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

N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine (PubChem CID 61313714) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine
PubChem CID61313714
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCc1ccc(NCCCN(C)C2CCCCC2)nn1
InChIInChI=1S/C15H26N4/c1-13-9-10-15(18-17-13)16-11-6-12-19(2)14-7-4-3-5-8-14/h9-10,14H,3-8,11-12H2,1-2H3,(H,16,18)
InChIKeyRDGCCRPICXDNES-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloropyridazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 55205070
N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106193008
N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 54880424
6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 80648183
N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 114156444
2-[3-[cyclohexyl(methyl)amino]propylamino]quinoline-4-carboxylic acid
CID 50805947
N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine
CID 106192998
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile
CID 80515860
N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 54880422
N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002
N',N'-diethyl-N-(6-methylpyridazin-3-yl)ethane-1,2-diamine
CID 61313304

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine (CID 61313714) is N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine is Cc1ccc(NCCCN(C)C2CCCCC2)nn1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine?
The InChIKey is RDGCCRPICXDNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-13-9-10-15(18-17-13)16-11-6-12-19(2)14-7-4-3-5-8-14/h9-10,14H,3-8,11-12H2,1-2H3,(H,16,18).
What are the key properties of N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 61313714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).