4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine

C16H28N4O — CID 80508145

IUPAC4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
SMILESCCc1nnc(N(C)CC2CCCCO2)c(CN)c1CC
InChIInChI=1S/C16H28N4O/c1-4-13-14(10-17)16(19-18-15(13)5-2)20(3)11-12-8-6-7-9-21-12/h12H,4-11,17H2,1-3H3
InChIKeyXYHWPMCCTXKDKN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.07
Rot. Bonds6

About 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine

4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine (PubChem CID 80508145) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
PubChem CID80508145
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
SMILESCCc1nnc(N(C)CC2CCCCO2)c(CN)c1CC
InChIInChI=1S/C16H28N4O/c1-4-13-14(10-17)16(19-18-15(13)5-2)20(3)11-12-8-6-7-9-21-12/h12H,4-11,17H2,1-3H3
InChIKeyXYHWPMCCTXKDKN-UHFFFAOYSA-N
XLogP2.07
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(cyclopropylmethyl)-5,6-diethyl-N-methylpyridazin-3-amine
CID 80507578
[5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine
CID 106495006
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxolan-3-yl)pyridazin-3-amine
CID 82732973
3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61430774
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine
CID 80508147
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765122
2-(aminomethyl)-N,6-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 107105586
5-ethyl-4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80796623
5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517737
5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide
CID 80514008
3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001102

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine (CID 80508145) is 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine is CCc1nnc(N(C)CC2CCCCO2)c(CN)c1CC.
What is the InChIKey of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine?
The InChIKey is XYHWPMCCTXKDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-13-14(10-17)16(19-18-15(13)5-2)20(3)11-12-8-6-7-9-21-12/h12H,4-11,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine?
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine has a molecular weight of 292.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 80508145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).