N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide

C10H20N4 — CID 104882264

IUPACN-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide
SMILESC/N=C(\NN)N1CCCC2CCCC21
InChIInChI=1S/C10H20N4/c1-12-10(13-11)14-7-3-5-8-4-2-6-9(8)14/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyDKCGPYYQZDCFGG-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.70
Rot. Bonds

About N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide

N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide (PubChem CID 104882264) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide
PubChem CID104882264
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide
SMILESC/N=C(\NN)N1CCCC2CCCC21
InChIInChI=1S/C10H20N4/c1-12-10(13-11)14-7-3-5-8-4-2-6-9(8)14/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyDKCGPYYQZDCFGG-UHFFFAOYSA-N
XLogP0.70
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-amino-N'-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide
CID 104882395
N-amino-N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 104884122
N-amino-N',2-dicyclopentylpyrrolidine-1-carboximidamide
CID 104884664
(2S)-N-amino-2-(2-hydroxyethynyl)-N'-methylpyrrolidine-1-carboximidamide
CID 163576501
N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide
CID 130815998
N-amino-N'-(3-ethoxypropyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide
CID 104887886
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-3-methylbutan-1-one
CID 65320801
N-tert-butyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 115695145
N-amino-N',2,5-trimethylpiperidine-1-carboximidamide
CID 104882324
N-amino-4-ethyl-N'-methylpiperidine-1-carboximidamide
CID 104882168
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methylbut-2-en-1-one
CID 130160646

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide?
The IUPAC name of N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide (CID 104882264) is N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide?
The canonical SMILES for N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide is C/N=C(\NN)N1CCCC2CCCC21.
What is the InChIKey of N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide?
The InChIKey is DKCGPYYQZDCFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-12-10(13-11)14-7-3-5-8-4-2-6-9(8)14/h8-9H,2-7,11H2,1H3,(H,12,13).
What are the key properties of N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide?
N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide has a molecular weight of 196.30 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboximidamide is sourced from PubChem (CID 104882264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).