1-(1-adamantylmethyl)-3-cyclopropylurea

C15H24N2O — CID 47127475

IUPAC1-(1-adamantylmethyl)-3-cyclopropylurea
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)NC1CC1
InChIInChI=1S/C15H24N2O/c18-14(17-13-1-2-13)16-9-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13H,1-9H2,(H2,16,17,18)
InChIKeyDKGPTAUOAOZBSA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds3

About 1-(1-adamantylmethyl)-3-cyclopropylurea

1-(1-adamantylmethyl)-3-cyclopropylurea (PubChem CID 47127475) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(1-adamantylmethyl)-3-cyclopropylurea
PubChem CID47127475
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(1-adamantylmethyl)-3-cyclopropylurea
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)NC1CC1
InChIInChI=1S/C15H24N2O/c18-14(17-13-1-2-13)16-9-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13H,1-9H2,(H2,16,17,18)
InChIKeyDKGPTAUOAOZBSA-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)-3-cyclopropylurea?
The IUPAC name of 1-(1-adamantylmethyl)-3-cyclopropylurea (CID 47127475) is 1-(1-adamantylmethyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(1-adamantylmethyl)-3-cyclopropylurea?
The canonical SMILES for 1-(1-adamantylmethyl)-3-cyclopropylurea is O=C(NCC12CC3CC(CC(C3)C1)C2)NC1CC1.
What is the InChIKey of 1-(1-adamantylmethyl)-3-cyclopropylurea?
The InChIKey is DKGPTAUOAOZBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-14(17-13-1-2-13)16-9-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13H,1-9H2,(H2,16,17,18).
What are the key properties of 1-(1-adamantylmethyl)-3-cyclopropylurea?
1-(1-adamantylmethyl)-3-cyclopropylurea has a molecular weight of 248.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)-3-cyclopropylurea is sourced from PubChem (CID 47127475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).