2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione

C15H25N3O2 — CID 43428554

IUPAC2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione
SMILESCC(C)(C)C1CCC(CN)C(n2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)11-5-4-10(9-16)12(8-11)18-14(20)7-6-13(19)17-18/h6-7,10-12H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyRHCBTWSZIDSWOG-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.50
Rot. Bonds2

About 2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione

2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione (PubChem CID 43428554) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione
PubChem CID43428554
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione
SMILESCC(C)(C)C1CCC(CN)C(n2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)11-5-4-10(9-16)12(8-11)18-14(20)7-6-13(19)17-18/h6-7,10-12H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyRHCBTWSZIDSWOG-UHFFFAOYSA-N
XLogP1.50
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-5-ethylcyclohexyl]-1H-pyridazine-3,6-dione
CID 43329385
2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione
CID 43428549
2-[2-(aminomethyl)-5-methylcyclohexyl]-1H-pyridazine-3,6-dione
CID 43428550
2-[2-(aminomethyl)cycloheptyl]-1H-pyridazine-3,6-dione
CID 43428551
2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione
CID 43428552
2-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1H-pyridazine-3,6-dione
CID 43428553
N-(2,3-dimethylcyclohexyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53513193
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 95150405
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 95150407
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 124737330
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 124737331
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethylcyclohexyl)acetamide
CID 167843972

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione (CID 43428554) is 2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione is CC(C)(C)C1CCC(CN)C(n2[nH]c(=O)ccc2=O)C1.
What is the InChIKey of 2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione?
The InChIKey is RHCBTWSZIDSWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)11-5-4-10(9-16)12(8-11)18-14(20)7-6-13(19)17-18/h6-7,10-12H,4-5,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione?
2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione has a molecular weight of 279.38 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43428554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).