3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine

C12H21N3O — CID 70659210

IUPAC3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine
SMILESCOCCCN(Cc1cccnn1)C(C)C
InChIInChI=1S/C12H21N3O/c1-11(2)15(8-5-9-16-3)10-12-6-4-7-13-14-12/h4,6-7,11H,5,8-10H2,1-3H3
InChIKeyNNIZYMMQFLWECM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds7

About 3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine

3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine (PubChem CID 70659210) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine
PubChem CID70659210
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine
SMILESCOCCCN(Cc1cccnn1)C(C)C
InChIInChI=1S/C12H21N3O/c1-11(2)15(8-5-9-16-3)10-12-6-4-7-13-14-12/h4,6-7,11H,5,8-10H2,1-3H3
InChIKeyNNIZYMMQFLWECM-UHFFFAOYSA-N
XLogP1.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
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 3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine (CID 70659210) is 3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine is COCCCN(Cc1cccnn1)C(C)C.
What is the InChIKey of 3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine?
The InChIKey is NNIZYMMQFLWECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2)15(8-5-9-16-3)10-12-6-4-7-13-14-12/h4,6-7,11H,5,8-10H2,1-3H3.
What are the key properties of 3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine?
3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yl-N-(pyridazin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 70659210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).