N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine

C15H23N3 — CID 105181467

IUPACN-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1cc(C)nnc1CC
InChIInChI=1S/C15H23N3/c1-5-8-9-10-15(16-7-3)13-11-12(4)17-18-14(13)6-2/h11,15-16H,6-7,9-10H2,1-4H3
InChIKeyICNCVYSSSOXYNY-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.80
Rot. Bonds6

About N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine

N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine (PubChem CID 105181467) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine
PubChem CID105181467
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1cc(C)nnc1CC
InChIInChI=1S/C15H23N3/c1-5-8-9-10-15(16-7-3)13-11-12(4)17-18-14(13)6-2/h11,15-16H,6-7,9-10H2,1-4H3
InChIKeyICNCVYSSSOXYNY-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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)-4,4-dimethylpentan-1-amine
CID 105140055
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)-2-pyridin-3-ylethanamine
CID 105179958
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
N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-ethylphenyl)methyl]ethanamine
CID 105121574
1-(2,5-dibromophenyl)-N-ethylhex-4-yn-1-amine
CID 105037425
1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine
CID 105124682
1-(4-chloro-2,5-difluorophenyl)-N-ethylhex-4-yn-1-amine
CID 105037119
1-(2,5-dibromothiophen-3-yl)-N-ethylhex-4-yn-1-amine
CID 107969050
N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxyphenyl)methyl]ethanamine
CID 105095248

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine (CID 105181467) is N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine is CC#CCCC(NCC)c1cc(C)nnc1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine?
The InChIKey is ICNCVYSSSOXYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-8-9-10-15(16-7-3)13-11-12(4)17-18-14(13)6-2/h11,15-16H,6-7,9-10H2,1-4H3.
What are the key properties of N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine?
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.80, 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)hex-4-yn-1-amine is sourced from PubChem (CID 105181467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).