1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea

C13H25N3O — CID 105416058

IUPAC1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
SMILESCN(C)C1(CNC(=O)NC2CCCC2)CCC1
InChIInChI=1S/C13H25N3O/c1-16(2)13(8-5-9-13)10-14-12(17)15-11-6-3-4-7-11/h11H,3-10H2,1-2H3,(H2,14,15,17)
InChIKeySOORQAJHBBQYQU-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.71
Rot. Bonds4

About 1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea

1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea (PubChem CID 105416058) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
PubChem CID105416058
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
SMILESCN(C)C1(CNC(=O)NC2CCCC2)CCC1
InChIInChI=1S/C13H25N3O/c1-16(2)13(8-5-9-13)10-14-12(17)15-11-6-3-4-7-11/h11H,3-10H2,1-2H3,(H2,14,15,17)
InChIKeySOORQAJHBBQYQU-UHFFFAOYSA-N
XLogP1.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 105419513
4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 47056235
cis-(1R,3S)-3-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320224
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 51081511
N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915214
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 105419502
2-(cyclopentylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide
CID 60687122
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 105419635
N-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915425
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307094

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea (CID 105416058) is 1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea is CN(C)C1(CNC(=O)NC2CCCC2)CCC1.
What is the InChIKey of 1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea?
The InChIKey is SOORQAJHBBQYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16(2)13(8-5-9-13)10-14-12(17)15-11-6-3-4-7-11/h11H,3-10H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea?
1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea has a molecular weight of 239.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea is sourced from PubChem (CID 105416058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).