1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea

C12H24N2O — CID 164775288

IUPAC1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea
SMILESCNC(=O)NC1CCC(CC(C)(C)C)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)8-9-5-6-10(7-9)14-11(15)13-4/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyANQFCAVPXZXCGJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.52
Rot. Bonds2

About 1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea

1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea (PubChem CID 164775288) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea
PubChem CID164775288
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea
SMILESCNC(=O)NC1CCC(CC(C)(C)C)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)8-9-5-6-10(7-9)14-11(15)13-4/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyANQFCAVPXZXCGJ-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(aminomethyl)cyclohexyl]-3-methylurea
CID 130538288
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
CID 168760317
N-cyclobutyl-3-[3-(2,2-dimethylpropanoylamino)cyclopentyl]-2,2-dimethylpropanamide
CID 135278622
1-(4-fluorocyclohexyl)-3-methylurea
CID 130670834
1-(4-acetylcyclohexyl)-3-methylurea
CID 58664366
N-[4-(methylcarbamoylamino)cyclohexyl]butanamide
CID 166654553
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
N-(3-aminocyclopentyl)-4,4-dimethylpentanamide
CID 115272907
[(1R,3R)-3-(2,2-dimethylpropyl)cyclopentyl]methanol
CID 59479700
1-methyl-3-piperidin-4-ylurea
CID 18759970
1-cyclopropyl-3-(3,3-dimethylbutyl)urea
CID 115580158
1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989732

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea?
The IUPAC name of 1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea (CID 164775288) is 1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea.
What is the SMILES notation for 1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea?
The canonical SMILES for 1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea is CNC(=O)NC1CCC(CC(C)(C)C)C1.
What is the InChIKey of 1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea?
The InChIKey is ANQFCAVPXZXCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)8-9-5-6-10(7-9)14-11(15)13-4/h9-10H,5-8H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea?
1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea has a molecular weight of 212.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea is sourced from PubChem (CID 164775288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).