N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine

C13H24N4 — CID 70912583

IUPACN,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine
SMILESCC(C)c1ccc(N(C)CCCN(C)C)nn1
InChIInChI=1S/C13H24N4/c1-11(2)12-7-8-13(15-14-12)17(5)10-6-9-16(3)4/h7-8,11H,6,9-10H2,1-5H3
InChIKeyJUMJQGOAUREFKB-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.99
Rot. Bonds6

About N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine

N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine (PubChem CID 70912583) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine
PubChem CID70912583
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine
SMILESCC(C)c1ccc(N(C)CCCN(C)C)nn1
InChIInChI=1S/C13H24N4/c1-11(2)12-7-8-13(15-14-12)17(5)10-6-9-16(3)4/h7-8,11H,6,9-10H2,1-5H3
InChIKeyJUMJQGOAUREFKB-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine (CID 70912583) is N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine is CC(C)c1ccc(N(C)CCCN(C)C)nn1.
What is the InChIKey of N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine?
The InChIKey is JUMJQGOAUREFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)12-7-8-13(15-14-12)17(5)10-6-9-16(3)4/h7-8,11H,6,9-10H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine?
N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(6-propan-2-ylpyridazin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 70912583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).