1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea

C15H26N2O — CID 113245022

IUPAC1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea
SMILESO=C(NCC(C1CC1)C1CC1)NC1CCCCC1
InChIInChI=1S/C15H26N2O/c18-15(17-13-4-2-1-3-5-13)16-10-14(11-6-7-11)12-8-9-12/h11-14H,1-10H2,(H2,16,17,18)
InChIKeyWGSDKJQZDNFXPA-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.05
Rot. Bonds5

About 1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea

1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea (PubChem CID 113245022) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea
PubChem CID113245022
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea
SMILESO=C(NCC(C1CC1)C1CC1)NC1CCCCC1
InChIInChI=1S/C15H26N2O/c18-15(17-13-4-2-1-3-5-13)16-10-14(11-6-7-11)12-8-9-12/h11-14H,1-10H2,(H2,16,17,18)
InChIKeyWGSDKJQZDNFXPA-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 63237441
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CID 83040450
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CID 62670962
1-cyclododecyl-3-(cyclohexylmethyl)urea
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CID 84516190
2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid
CID 81066653
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CID 17217147
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea (CID 113245022) is 1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea is O=C(NCC(C1CC1)C1CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea?
The InChIKey is WGSDKJQZDNFXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15(17-13-4-2-1-3-5-13)16-10-14(11-6-7-11)12-8-9-12/h11-14H,1-10H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea?
1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea has a molecular weight of 250.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea is sourced from PubChem (CID 113245022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).