1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

C13H25N3O — CID 113246620

IUPAC1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESCCN(C)C(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C13H25N3O/c1-4-15(2)13(17)14-10-8-11-6-5-7-12(9-10)16(11)3/h10-12H,4-9H2,1-3H3,(H,14,17)
InChIKeyMMFMGWIXZUJULD-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.66
Rot. Bonds2

About 1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (PubChem CID 113246620) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
PubChem CID113246620
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESCCN(C)C(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C13H25N3O/c1-4-15(2)13(17)14-10-8-11-6-5-7-12(9-10)16(11)3/h10-12H,4-9H2,1-3H3,(H,14,17)
InChIKeyMMFMGWIXZUJULD-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 121218221
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
N,N-diethyl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65473146
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
CID 107031276
3-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 65471987
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508640
2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 103734026
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea
CID 75374838
1-(1-hydroxypropan-2-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508639
1-ethyl-3-(1-ethylpiperidin-3-yl)-1-methylurea
CID 115604545
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid
CID 65470865

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (CID 113246620) is 1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is CCN(C)C(=O)NC1CC2CCCC(C1)N2C.
What is the InChIKey of 1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The InChIKey is MMFMGWIXZUJULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-15(2)13(17)14-10-8-11-6-5-7-12(9-10)16(11)3/h10-12H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea has a molecular weight of 239.36 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is sourced from PubChem (CID 113246620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).