N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine

C16H29N3O — CID 62290047

IUPACN-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine
SMILESCCCCCCCCOc1ccc(CNC(C)C)nn1
InChIInChI=1S/C16H29N3O/c1-4-5-6-7-8-9-12-20-16-11-10-15(18-19-16)13-17-14(2)3/h10-11,14,17H,4-9,12-13H2,1-3H3
InChIKeyCZPFBCOWPQEUJP-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.71
Rot. Bonds11

About N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine

N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine (PubChem CID 62290047) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine
PubChem CID62290047
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine
SMILESCCCCCCCCOc1ccc(CNC(C)C)nn1
InChIInChI=1S/C16H29N3O/c1-4-5-6-7-8-9-12-20-16-11-10-15(18-19-16)13-17-14(2)3/h10-11,14,17H,4-9,12-13H2,1-3H3
InChIKeyCZPFBCOWPQEUJP-UHFFFAOYSA-N
XLogP3.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.71
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 N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine (CID 62290047) is N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine is CCCCCCCCOc1ccc(CNC(C)C)nn1.
What is the InChIKey of N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine?
The InChIKey is CZPFBCOWPQEUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-5-6-7-8-9-12-20-16-11-10-15(18-19-16)13-17-14(2)3/h10-11,14,17H,4-9,12-13H2,1-3H3.
What are the key properties of N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine?
N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.71, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 62290047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).