2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine

C9H17N5 — CID 65211894

IUPAC2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine
SMILESCN1C2CCC1CC(=NN=C(N)N)C2
InChIInChI=1S/C9H17N5/c1-14-7-2-3-8(14)5-6(4-7)12-13-9(10)11/h7-8H,2-5H2,1H3,(H4,10,11,13)
InChIKeyBKFHDPAYOQNTIX-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.13
Rot. Bonds1

About 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine

2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine (PubChem CID 65211894) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine
PubChem CID65211894
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine
SMILESCN1C2CCC1CC(=NN=C(N)N)C2
InChIInChI=1S/C9H17N5/c1-14-7-2-3-8(14)5-6(4-7)12-13-9(10)11/h7-8H,2-5H2,1H3,(H4,10,11,13)
InChIKeyBKFHDPAYOQNTIX-UHFFFAOYSA-N
XLogP-0.13
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine with MolForge

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Related Compounds

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine;hydrochloride
CID 2737441
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride
CID 56737749
[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea
CID 779400
2-[[3-(2-methylpropyl)cyclohexylidene]amino]guanidine
CID 107430498
2-[(3-ethylcyclohexylidene)amino]guanidine
CID 77024453
[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate
CID 557688
8-methyl-8-azabicyclo[3.2.1]octane-3-thione
CID 18009150
(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane
CID 89337063
(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 6338849
8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 141422074
8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
CID 3057566
[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino] 4-chlorobenzoate
CID 6928569

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine?
The IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine (CID 65211894) is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine.
What is the SMILES notation for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine?
The canonical SMILES for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine is CN1C2CCC1CC(=NN=C(N)N)C2.
What is the InChIKey of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine?
The InChIKey is BKFHDPAYOQNTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-14-7-2-3-8(14)5-6(4-7)12-13-9(10)11/h7-8H,2-5H2,1H3,(H4,10,11,13).
What are the key properties of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine?
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine has a molecular weight of 195.27 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine is sourced from PubChem (CID 65211894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).