1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea

C12H20N2O — CID 103793569

IUPAC1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
SMILESCCCNC(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C12H20N2O/c1-2-5-13-12(15)14-11-9-7-3-4-8(6-7)10(9)11/h7-11H,2-6H2,1H3,(H2,13,14,15)
InChIKeyAALDMRUSQURBAH-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.74
Rot. Bonds3

About 1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea

1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea (PubChem CID 103793569) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea.

Molecular Properties

Compound Name1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
PubChem CID103793569
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
SMILESCCCNC(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C12H20N2O/c1-2-5-13-12(15)14-11-9-7-3-4-8(6-7)10(9)11/h7-11H,2-6H2,1H3,(H2,13,14,15)
InChIKeyAALDMRUSQURBAH-UHFFFAOYSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-propyl-2-(3-tricyclo[3.2.1.02,4]octanylamino)propanamide
CID 114095959
1-[(1R,2R)-2-methylcyclopropyl]-3-propylurea
CID 130688362
1-cyclopentyl-3-propylurea
CID 14343339
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
1-(2-amino-4-ethoxycyclobutyl)-3-propylurea
CID 66197437
1-(4,4-dimethylcyclohexyl)-3-propylurea
CID 115660888
2-hydroxy-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 106509833
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
1-(2-methyloxan-4-yl)-3-propylurea
CID 103887319
(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide
CID 113315069
1-(4-methylcycloheptyl)-3-propylurea
CID 102795126
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea?
The IUPAC name of 1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea (CID 103793569) is 1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea.
What is the SMILES notation for 1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea?
The canonical SMILES for 1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea is CCCNC(=O)NC1C2C3CCC(C3)C12.
What is the InChIKey of 1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea?
The InChIKey is AALDMRUSQURBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-5-13-12(15)14-11-9-7-3-4-8(6-7)10(9)11/h7-11H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea?
1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea has a molecular weight of 208.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea is sourced from PubChem (CID 103793569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).