[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea

C10H19N3O — CID 70078455

IUPAC[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
SMILESCN1[C@@H]2CCC[C@H]1CC(NC(N)=O)C2
InChIInChI=1S/C10H19N3O/c1-13-8-3-2-4-9(13)6-7(5-8)12-10(11)14/h7-9H,2-6H2,1H3,(H3,11,12,14)/t7?,8-,9+
InChIKeyYPJJCYJTJWLKCP-CBLAIPOGSA-N
MW197.28 g/mol
LogP0.67
Rot. Bonds1

About [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea

[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea (PubChem CID 70078455) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea.

Molecular Properties

Compound Name[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
PubChem CID70078455
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
SMILESCN1[C@@H]2CCC[C@H]1CC(NC(N)=O)C2
InChIInChI=1S/C10H19N3O/c1-13-8-3-2-4-9(13)6-7(5-8)12-10(11)14/h7-9H,2-6H2,1H3,(H3,11,12,14)/t7?,8-,9+
InChIKeyYPJJCYJTJWLKCP-CBLAIPOGSA-N
XLogP0.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea with MolForge

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Related Compounds

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 19097464
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
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
2-carbamothioyl-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)butanamide
CID 65471637
1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopentane-1-carboxamide
CID 65472189
4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
CID 65472567
2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 103734026
1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
CID 65472005
N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide
CID 65471203
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119892062
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
The IUPAC name of [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea (CID 70078455) is [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea.
What is the SMILES notation for [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
The canonical SMILES for [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea is CN1[C@@H]2CCC[C@H]1CC(NC(N)=O)C2.
What is the InChIKey of [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
The InChIKey is YPJJCYJTJWLKCP-CBLAIPOGSA-N. The full InChI is InChI=1S/C10H19N3O/c1-13-8-3-2-4-9(13)6-7(5-8)12-10(11)14/h7-9H,2-6H2,1H3,(H3,11,12,14)/t7?,8-,9+.
What are the key properties of [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea has a molecular weight of 197.28 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea is sourced from PubChem (CID 70078455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).