3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea

C11H23N3O — CID 82508745

IUPAC3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea
SMILESCN(C(=O)NC(C)(C)CN)C1CCCC1
InChIInChI=1S/C11H23N3O/c1-11(2,8-12)13-10(15)14(3)9-6-4-5-7-9/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyZNUFXALHXOREKR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.31
Rot. Bonds3

About 3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea

3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea (PubChem CID 82508745) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea.

Molecular Properties

Compound Name3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea
PubChem CID82508745
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea
SMILESCN(C(=O)NC(C)(C)CN)C1CCCC1
InChIInChI=1S/C11H23N3O/c1-11(2,8-12)13-10(15)14(3)9-6-4-5-7-9/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyZNUFXALHXOREKR-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266389
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086
1-cyclobutyl-1,3-dimethylurea
CID 66861755
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
CID 43384978
N-(1-amino-2-methylpropan-2-yl)-3-cyclopentylpropanamide;hydrochloride
CID 119260499
1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
N-(1-amino-2-methylpropan-2-yl)-3-cyclohexylpropanamide;hydrochloride
CID 119524224

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea?
The IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea (CID 82508745) is 3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea.
What is the SMILES notation for 3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea?
The canonical SMILES for 3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea is CN(C(=O)NC(C)(C)CN)C1CCCC1.
What is the InChIKey of 3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea?
The InChIKey is ZNUFXALHXOREKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,8-12)13-10(15)14(3)9-6-4-5-7-9/h9H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of 3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea?
3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea has a molecular weight of 213.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylpropan-2-yl)-1-cyclopentyl-1-methylurea is sourced from PubChem (CID 82508745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).