1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine

C14H26N4 — CID 104670200

IUPAC1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine
SMILESCc1cc(CNC(C)CNC(C)(C)C)c(C)nn1
InChIInChI=1S/C14H26N4/c1-10-7-13(12(3)18-17-10)9-15-11(2)8-16-14(4,5)6/h7,11,15-16H,8-9H2,1-6H3
InChIKeySRNNLLJLIJRAHP-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.96
Rot. Bonds5

About 1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine

1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine (PubChem CID 104670200) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine
PubChem CID104670200
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine
SMILESCc1cc(CNC(C)CNC(C)(C)C)c(C)nn1
InChIInChI=1S/C14H26N4/c1-10-7-13(12(3)18-17-10)9-15-11(2)8-16-14(4,5)6/h7,11,15-16H,8-9H2,1-6H3
InChIKeySRNNLLJLIJRAHP-UHFFFAOYSA-N
XLogP1.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine (CID 104670200) is 1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine is Cc1cc(CNC(C)CNC(C)(C)C)c(C)nn1.
What is the InChIKey of 1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine?
The InChIKey is SRNNLLJLIJRAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10-7-13(12(3)18-17-10)9-15-11(2)8-16-14(4,5)6/h7,11,15-16H,8-9H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine?
1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104670200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).