1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea

C15H27N3O — CID 116658576

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea
SMILESCCCN(C(=O)NC1CCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H27N3O/c1-2-8-18(15(19)17-11-4-3-5-11)14-9-12-6-7-13(10-14)16-12/h11-14,16H,2-10H2,1H3,(H,17,19)
InChIKeyHOJNYUJYKCOGCW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.24
Rot. Bonds4

About 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea

1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea (PubChem CID 116658576) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea
PubChem CID116658576
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea
SMILESCCCN(C(=O)NC1CCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H27N3O/c1-2-8-18(15(19)17-11-4-3-5-11)14-9-12-6-7-13(10-14)16-12/h11-14,16H,2-10H2,1H3,(H,17,19)
InChIKeyHOJNYUJYKCOGCW-UHFFFAOYSA-N
XLogP2.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea
CID 61232866
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-N-propylcyclopentane-1-carboxamide
CID 107180650
3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea
CID 62699859
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide
CID 62679594
1-butyl-1,3-dicyclopropylurea
CID 115579407
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide
CID 61233054
N-cycloheptyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232838
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 61230946
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
CID 61231138
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242
3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 64742171

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea (CID 116658576) is 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea is CCCN(C(=O)NC1CCC1)C1CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea?
The InChIKey is HOJNYUJYKCOGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-8-18(15(19)17-11-4-3-5-11)14-9-12-6-7-13(10-14)16-12/h11-14,16H,2-10H2,1H3,(H,17,19).
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea?
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea has a molecular weight of 265.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea is sourced from PubChem (CID 116658576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).