1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea

C12H24N2O — CID 127484817

IUPAC1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea
SMILESCC(C)C1CCC(NC(=O)N(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h9-11H,5-8H2,1-4H3,(H,13,15)
InChIKeyFGWXMGFKBZUFCG-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds2

About 1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea

1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea (PubChem CID 127484817) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea
PubChem CID127484817
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea
SMILESCC(C)C1CCC(NC(=O)N(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h9-11H,5-8H2,1-4H3,(H,13,15)
InChIKeyFGWXMGFKBZUFCG-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea 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-methyl-3-[methyl-[(4-propan-2-ylcycloheptyl)carbamoyl]amino]propanoic acid
CID 122010343
N,N-dimethyl-2-[(4-propan-2-ylcyclohexyl)amino]propanamide
CID 55106384
3-cyclopropyl-1-[2-(dimethylcarbamoylamino)ethyl]-1-methylurea
CID 75449864
N-cyclopropylacetamide;1-methyl-4-propan-2-ylcyclohexane
CID 90040795
acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
CID 142518956
2-[4-(dimethylcarbamoylamino)cyclohexyl]acetyl chloride
CID 170985652
1-(2-amino-1-cyclopropylethyl)-3-cyclopropyl-1-methylurea
CID 116652105
1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 121218221
2-(dimethylamino)-N-(3-propan-2-ylcyclopentyl)acetamide
CID 90085459
N,N-dimethyl-2-[(4-propan-2-ylcycloheptyl)amino]acetamide
CID 65086400
N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 12518171
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea?
The IUPAC name of 1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea (CID 127484817) is 1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea is CC(C)C1CCC(NC(=O)N(C)C)CC1.
What is the InChIKey of 1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea?
The InChIKey is FGWXMGFKBZUFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h9-11H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea?
1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea has a molecular weight of 212.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea is sourced from PubChem (CID 127484817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).