1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea

C14H24N2O — CID 116656057

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea
SMILESCN(CC1CC2CCC1C2)C(=O)NC1CCC1
InChIInChI=1S/C14H24N2O/c1-16(14(17)15-13-3-2-4-13)9-12-8-10-5-6-11(12)7-10/h10-13H,2-9H2,1H3,(H,15,17)
InChIKeyDZWJUCLCUALONJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.62
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea

1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea (PubChem CID 116656057) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea
PubChem CID116656057
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea
SMILESCN(CC1CC2CCC1C2)C(=O)NC1CCC1
InChIInChI=1S/C14H24N2O/c1-16(14(17)15-13-3-2-4-13)9-12-8-10-5-6-11(12)7-10/h10-13H,2-9H2,1H3,(H,15,17)
InChIKeyDZWJUCLCUALONJ-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea with MolForge

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Related Compounds

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-3-chloropropanamide
CID 55233841
N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-2-chloropropanamide
CID 63684997
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 77017047
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682043
(2S)-2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682031
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylcyclobutane-1-carboxamide
CID 81169750
3-[[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81068551
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 63682050
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide
CID 103029139
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea (CID 116656057) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea is CN(CC1CC2CCC1C2)C(=O)NC1CCC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea?
The InChIKey is DZWJUCLCUALONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-16(14(17)15-13-3-2-4-13)9-12-8-10-5-6-11(12)7-10/h10-13H,2-9H2,1H3,(H,15,17).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea?
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea has a molecular weight of 236.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea is sourced from PubChem (CID 116656057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).