ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine

C18H29N3O — CID 145231600

IUPACethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine
SMILESCC.Cc1ccccc1COCCCCC1=NN=C(N)CC1
InChIInChI=1S/C16H23N3O.C2H6/c1-13-6-2-3-7-14(13)12-20-11-5-4-8-15-9-10-16(17)19-18-15;1-2/h2-3,6-7H,4-5,8-12H2,1H3,(H2,17,19);1-2H3
InChIKeyVEZMBHGMDNYFCB-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.22
Rot. Bonds7

About ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine

ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine (PubChem CID 145231600) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Nameethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine
PubChem CID145231600
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Nameethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine
SMILESCC.Cc1ccccc1COCCCCC1=NN=C(N)CC1
InChIInChI=1S/C16H23N3O.C2H6/c1-13-6-2-3-7-14(13)12-20-11-5-4-8-15-9-10-16(17)19-18-15;1-2/h2-3,6-7H,4-5,8-12H2,1H3,(H2,17,19);1-2H3
InChIKeyVEZMBHGMDNYFCB-UHFFFAOYSA-N
XLogP4.22
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine?
The IUPAC name of ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine (CID 145231600) is ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine?
The canonical SMILES for ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine is CC.Cc1ccccc1COCCCCC1=NN=C(N)CC1.
What is the InChIKey of ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine?
The InChIKey is VEZMBHGMDNYFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.C2H6/c1-13-6-2-3-7-14(13)12-20-11-5-4-8-15-9-10-16(17)19-18-15;1-2/h2-3,6-7H,4-5,8-12H2,1H3,(H2,17,19);1-2H3.
What are the key properties of ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine?
ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine has a molecular weight of 303.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[4-[(2-methylphenyl)methoxy]butyl]-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 145231600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).