N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine

C16H29N3 — CID 105140055

IUPACN-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1cc(C)nnc1CC
InChIInChI=1S/C16H29N3/c1-7-14-13(11-12(3)18-19-14)15(17-8-2)9-10-16(4,5)6/h11,15,17H,7-10H2,1-6H3
InChIKeyCXGOTUZWWAYPRC-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.82
Rot. Bonds6

About N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine

N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine (PubChem CID 105140055) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine
PubChem CID105140055
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1cc(C)nnc1CC
InChIInChI=1S/C16H29N3/c1-7-14-13(11-12(3)18-19-14)15(17-8-2)9-10-16(4,5)6/h11,15,17H,7-10H2,1-6H3
InChIKeyCXGOTUZWWAYPRC-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine
CID 105181467
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-5-yn-1-amine
CID 105179583
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-3-ylethanamine
CID 105179958
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147843
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105187699
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030235
1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine
CID 105124682
N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine
CID 104790089
N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-ethylphenyl)methyl]ethanamine
CID 105121574
3-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-N-propylpentan-1-amine
CID 105176711
N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105079704
1-(3-ethyl-6-methylpyridazin-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103031442

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine (CID 105140055) is N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine is CCNC(CCC(C)(C)C)c1cc(C)nnc1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is CXGOTUZWWAYPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-14-13(11-12(3)18-19-14)15(17-8-2)9-10-16(4,5)6/h11,15,17H,7-10H2,1-6H3.
What are the key properties of N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine?
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 105140055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).