1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea

C14H27N3O — CID 79161480

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
SMILESCCN(CC)C(=O)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H27N3O/c1-4-16(5-2)14(18)17(6-3)13-9-11-7-8-12(10-13)15-11/h11-13,15H,4-10H2,1-3H3
InChIKeyBXGLNXQMZLVIJE-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.05
Rot. Bonds4

About 1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea

1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea (PubChem CID 79161480) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
PubChem CID79161480
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
SMILESCCN(CC)C(=O)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H27N3O/c1-4-16(5-2)14(18)17(6-3)13-9-11-7-8-12(10-13)15-11/h11-13,15H,4-10H2,1-3H3
InChIKeyBXGLNXQMZLVIJE-UHFFFAOYSA-N
XLogP2.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 61232277
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide
CID 103514114
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylpentanamide
CID 114875579
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide
CID 61231318
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpiperidine-1-carboxamide
CID 79155372
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide
CID 114028609
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide
CID 61230747
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyloxolane-3-carboxamide
CID 61271461
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 55145232
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
CID 61230749
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107180646

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea (CID 79161480) is 1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea is CCN(CC)C(=O)N(CC)C1CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea?
The InChIKey is BXGLNXQMZLVIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-16(5-2)14(18)17(6-3)13-9-11-7-8-12(10-13)15-11/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea?
1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea has a molecular weight of 253.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 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)-1,3,3-triethylurea is sourced from PubChem (CID 79161480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).