6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine

C13H24N4 — CID 62286551

IUPAC6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine
SMILESCCCCCN(c1ccc(CN)nn1)C(C)C
InChIInChI=1S/C13H24N4/c1-4-5-6-9-17(11(2)3)13-8-7-12(10-14)15-16-13/h7-8,11H,4-6,9-10,14H2,1-3H3
InChIKeyLRMIUBMJESFEGI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.34
Rot. Bonds7

About 6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine

6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine (PubChem CID 62286551) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine
PubChem CID62286551
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine
SMILESCCCCCN(c1ccc(CN)nn1)C(C)C
InChIInChI=1S/C13H24N4/c1-4-5-6-9-17(11(2)3)13-8-7-12(10-14)15-16-13/h7-8,11H,4-6,9-10,14H2,1-3H3
InChIKeyLRMIUBMJESFEGI-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.34
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 6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine?
The IUPAC name of 6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine (CID 62286551) is 6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for 6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine?
The canonical SMILES for 6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine is CCCCCN(c1ccc(CN)nn1)C(C)C.
What is the InChIKey of 6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine?
The InChIKey is LRMIUBMJESFEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-5-6-9-17(11(2)3)13-8-7-12(10-14)15-16-13/h7-8,11H,4-6,9-10,14H2,1-3H3.
What are the key properties of 6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine?
6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 62286551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).