4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane

C18H40N2O — CID 142227682

IUPAC4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane
SMILESCC.CCC.CNNC(CC1CC(C)CC(C)C1)C(C)=O
InChIInChI=1S/C13H26N2O.C3H8.C2H6/c1-9-5-10(2)7-12(6-9)8-13(11(3)16)15-14-4;1-3-2;1-2/h9-10,12-15H,5-8H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyUACRTWISHBFYNN-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.57
Rot. Bonds5

About 4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane

4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane (PubChem CID 142227682) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane
PubChem CID142227682
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane
SMILESCC.CCC.CNNC(CC1CC(C)CC(C)C1)C(C)=O
InChIInChI=1S/C13H26N2O.C3H8.C2H6/c1-9-5-10(2)7-12(6-9)8-13(11(3)16)15-14-4;1-3-2;1-2/h9-10,12-15H,5-8H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyUACRTWISHBFYNN-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane (CID 142227682) is 4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane is CC.CCC.CNNC(CC1CC(C)CC(C)C1)C(C)=O.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane?
The InChIKey is UACRTWISHBFYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C3H8.C2H6/c1-9-5-10(2)7-12(6-9)8-13(11(3)16)15-14-4;1-3-2;1-2/h9-10,12-15H,5-8H2,1-4H3;3H2,1-2H3;1-2H3.
What are the key properties of 4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane?
4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane has a molecular weight of 300.53 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)-3-(2-methylhydrazinyl)butan-2-one;ethane;propane is sourced from PubChem (CID 142227682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).