[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea

C9H16N4O — CID 779400

IUPAC[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea
SMILESCN1[C@@H]2CC[C@H]1C/C(=N\NC(N)=O)C2
InChIInChI=1S/C9H16N4O/c1-13-7-2-3-8(13)5-6(4-7)11-12-9(10)14/h7-8H,2-5H2,1H3,(H3,10,12,14)/b11-6-/t7-,8+/m1/s1
InChIKeyVDGKTGWSAJCCDP-SEIKAGIBSA-N
MW196.25 g/mol
LogP0.27
Rot. Bonds1

About [[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea

[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea (PubChem CID 779400) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea.

Molecular Properties

Compound Name[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea
PubChem CID779400
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea
SMILESCN1[C@@H]2CC[C@H]1C/C(=N\NC(N)=O)C2
InChIInChI=1S/C9H16N4O/c1-13-7-2-3-8(13)5-6(4-7)11-12-9(10)14/h7-8H,2-5H2,1H3,(H3,10,12,14)/b11-6-/t7-,8+/m1/s1
InChIKeyVDGKTGWSAJCCDP-SEIKAGIBSA-N
XLogP0.27
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(3-methylcyclopentylidene)amino]urea
CID 5380591
[(E)-(3-methylcyclohexylidene)amino]urea
CID 5357776
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine
CID 65211894
[(Z)-(3-methylcyclooctylidene)amino]urea
CID 90482071
2,3,4-trimethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]benzamide
CID 153408978
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride
CID 56737749
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine;hydrochloride
CID 2737441
[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate
CID 557688
[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea
CID 6934624
[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea
CID 6181691
[(4-methoxycyclohexylidene)amino]urea
CID 112693050
[(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea
CID 5358799

Frequently Asked Questions

What is the IUPAC name of [[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea?
The IUPAC name of [[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea (CID 779400) is [[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea.
What is the SMILES notation for [[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea?
The canonical SMILES for [[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea is CN1[C@@H]2CC[C@H]1C/C(=N\NC(N)=O)C2.
What is the InChIKey of [[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea?
The InChIKey is VDGKTGWSAJCCDP-SEIKAGIBSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-7-2-3-8(13)5-6(4-7)11-12-9(10)14/h7-8H,2-5H2,1H3,(H3,10,12,14)/b11-6-/t7-,8+/m1/s1.
What are the key properties of [[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea?
[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea has a molecular weight of 196.25 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea is sourced from PubChem (CID 779400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).