1-(1-adamantyl)-3-cyclopropylurea

C14H22N2O — CID 3128946

IUPAC1-(1-adamantyl)-3-cyclopropylurea
SMILESO=C(NC1CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22N2O/c17-13(15-12-1-2-12)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,1-8H2,(H2,15,16,17)
InChIKeyNLLLVVJKVDDYTD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.42
Rot. Bonds2

About 1-(1-adamantyl)-3-cyclopropylurea

1-(1-adamantyl)-3-cyclopropylurea (PubChem CID 3128946) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-cyclopropylurea
PubChem CID3128946
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(1-adamantyl)-3-cyclopropylurea
SMILESO=C(NC1CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22N2O/c17-13(15-12-1-2-12)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,1-8H2,(H2,15,16,17)
InChIKeyNLLLVVJKVDDYTD-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-adamantyl)-3-cyclododecylurea
CID 22978783
1-(1-adamantyl)-3-(4-oxocyclohexyl)urea
CID 16756507
[4-(1-adamantylcarbamoylamino)cyclohexyl] benzoate
CID 59168665
pentyl 4-(1-adamantylcarbamoylamino)cyclohexane-1-carboxylate
CID 59168661
4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide
CID 3220721
1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea
CID 25073904
4-[(3-hydroxy-1-adamantyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023903
1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea
CID 11525463
4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
CID 17180551
ethyl 7-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxyheptanoate
CID 11655301
(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51928773
3-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoic acid
CID 16757353

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-cyclopropylurea?
The IUPAC name of 1-(1-adamantyl)-3-cyclopropylurea (CID 3128946) is 1-(1-adamantyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(1-adamantyl)-3-cyclopropylurea?
The canonical SMILES for 1-(1-adamantyl)-3-cyclopropylurea is O=C(NC1CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-cyclopropylurea?
The InChIKey is NLLLVVJKVDDYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-13(15-12-1-2-12)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,1-8H2,(H2,15,16,17).
What are the key properties of 1-(1-adamantyl)-3-cyclopropylurea?
1-(1-adamantyl)-3-cyclopropylurea has a molecular weight of 234.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-cyclopropylurea is sourced from PubChem (CID 3128946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).