1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine

C14H25N3 — CID 114210905

IUPAC1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine
SMILESCc1cc(C(N)CCCC(C)(C)C)c(C)nn1
InChIInChI=1S/C14H25N3/c1-10-9-12(11(2)17-16-10)13(15)7-6-8-14(3,4)5/h9,13H,6-8,15H2,1-5H3
InChIKeyBYDSCLRGXAWIHQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.31
Rot. Bonds4

About 1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine

1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine (PubChem CID 114210905) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine
PubChem CID114210905
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine
SMILESCc1cc(C(N)CCCC(C)(C)C)c(C)nn1
InChIInChI=1S/C14H25N3/c1-10-9-12(11(2)17-16-10)13(15)7-6-8-14(3,4)5/h9,13H,6-8,15H2,1-5H3
InChIKeyBYDSCLRGXAWIHQ-UHFFFAOYSA-N
XLogP3.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105136216
1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105082248
1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine
CID 105165411
1-(3,6-dimethylpyridazin-4-yl)-2-methylpropan-1-amine
CID 105078192
1-(3,6-dimethylpyridazin-4-yl)-2-methylprop-2-en-1-amine
CID 105163714
1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 11491963
1-(3-ethyl-6-methylpyridazin-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103031442
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583
2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105132737
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558
1-(2-bromo-5-iodophenyl)-5,5-dimethylhexan-1-amine
CID 114210895
1-(5-bromo-2-iodophenyl)-5,5-dimethylhexan-1-amine
CID 114211015

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine (CID 114210905) is 1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine is Cc1cc(C(N)CCCC(C)(C)C)c(C)nn1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine?
The InChIKey is BYDSCLRGXAWIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10-9-12(11(2)17-16-10)13(15)7-6-8-14(3,4)5/h9,13H,6-8,15H2,1-5H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine?
1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 114210905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).