(3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone

C19H30O — CID 114975070

IUPAC(3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C23CC4CC(CC(C)(C4)C2)C3)CC1
InChIInChI=1S/C19H30O/c1-13-3-5-16(6-4-13)17(20)19-10-14-7-15(11-19)9-18(2,8-14)12-19/h13-16H,3-12H2,1-2H3
InChIKeyUUKOSGGAJHDZPQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.99
Rot. Bonds2

About (3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone

(3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone (PubChem CID 114975070) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is (3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone
PubChem CID114975070
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name(3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C23CC4CC(CC(C)(C4)C2)C3)CC1
InChIInChI=1S/C19H30O/c1-13-3-5-16(6-4-13)17(20)19-10-14-7-15(11-19)9-18(2,8-14)12-19/h13-16H,3-12H2,1-2H3
InChIKeyUUKOSGGAJHDZPQ-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclohexyl-1-(3-methyl-1-adamantyl)ethanone
CID 114967613
1-(3-methyl-1-adamantyl)nonan-1-one
CID 114966838
2-ethoxy-1-(3-methyl-1-adamantyl)ethanone
CID 115782887
(3,5-dimethyl-1-adamantyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171942276
ethyl 3-methyladamantane-1-carboxylate
CID 91035381
1-(3-methyl-1-adamantyl)hex-5-en-1-one
CID 114974744
4-methoxy-4-methyl-1-(3-methyl-1-adamantyl)pentan-1-one
CID 103024714
cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674802
2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid
CID 113402725
N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide
CID 106444137
N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide
CID 113402760
carbanylium;2-(3-methyladamantane-1-carbonyl)oxyethanesulfonate
CID 160838459

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone (CID 114975070) is (3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)C23CC4CC(CC(C)(C4)C2)C3)CC1.
What is the InChIKey of (3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone?
The InChIKey is UUKOSGGAJHDZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-13-3-5-16(6-4-13)17(20)19-10-14-7-15(11-19)9-18(2,8-14)12-19/h13-16H,3-12H2,1-2H3.
What are the key properties of (3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone?
(3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone has a molecular weight of 274.45 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 114975070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).