1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea

C12H24N2O — CID 115618855

IUPAC1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea
SMILESCCN(CC)C(=O)NCC1(C)CCCC1
InChIInChI=1S/C12H24N2O/c1-4-14(5-2)11(15)13-10-12(3)8-6-7-9-12/h4-10H2,1-3H3,(H,13,15)
InChIKeyVJUKJVGGMBILGD-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.62
Rot. Bonds4

About 1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea

1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea (PubChem CID 115618855) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea
PubChem CID115618855
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea
SMILESCCN(CC)C(=O)NCC1(C)CCCC1
InChIInChI=1S/C12H24N2O/c1-4-14(5-2)11(15)13-10-12(3)8-6-7-9-12/h4-10H2,1-3H3,(H,13,15)
InChIKeyVJUKJVGGMBILGD-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103741057
3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
CID 113223972
1,1-diethyl-3-[(1-methylsulfanylcyclohexyl)methyl]urea
CID 114115882
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
1,1-diethyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103800433
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118
lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride
CID 173484127
2,2-difluoro-N-[(1-methylcyclopentyl)methyl]acetamide
CID 103515473
1-[[[butyl(ethyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444679
2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81162549
1-methyl-N-[(1-methylcyclobutyl)methyl]cyclopropane-1-carboxamide
CID 126990723

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea?
The IUPAC name of 1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea (CID 115618855) is 1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea is CCN(CC)C(=O)NCC1(C)CCCC1.
What is the InChIKey of 1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea?
The InChIKey is VJUKJVGGMBILGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-14(5-2)11(15)13-10-12(3)8-6-7-9-12/h4-10H2,1-3H3,(H,13,15).
What are the key properties of 1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea?
1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea has a molecular weight of 212.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea is sourced from PubChem (CID 115618855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).