1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine

C10H22N4 — CID 126712699

IUPAC1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine
SMILESCC1NNCC=C1C(C)N(C)C(C)N
InChIInChI=1S/C10H22N4/c1-7-10(5-6-12-13-7)8(2)14(4)9(3)11/h5,7-9,12-13H,6,11H2,1-4H3
InChIKeyVNTLLCYPABWULP-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.03
Rot. Bonds3

About 1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine

1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine (PubChem CID 126712699) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine
PubChem CID126712699
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine
SMILESCC1NNCC=C1C(C)N(C)C(C)N
InChIInChI=1S/C10H22N4/c1-7-10(5-6-12-13-7)8(2)14(4)9(3)11/h5,7-9,12-13H,6,11H2,1-4H3
InChIKeyVNTLLCYPABWULP-UHFFFAOYSA-N
XLogP0.03
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine (CID 126712699) is 1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine is CC1NNCC=C1C(C)N(C)C(C)N.
What is the InChIKey of 1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine?
The InChIKey is VNTLLCYPABWULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-7-10(5-6-12-13-7)8(2)14(4)9(3)11/h5,7-9,12-13H,6,11H2,1-4H3.
What are the key properties of 1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine?
1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-1-N'-[1-(3-methyl-1,2,3,6-tetrahydropyridazin-4-yl)ethyl]ethane-1,1-diamine is sourced from PubChem (CID 126712699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).