(4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide

C10H20N4 — CID 102726810

IUPAC(4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESNN=C(N)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C10H20N4/c11-10(13-12)14-7-3-5-8-4-1-2-6-9(8)14/h8-9H,1-7,12H2,(H2,11,13)/t8-,9-/m1/s1
InChIKeyDKUDRNCBXWFCKF-RKDXNWHRSA-N
MW196.30 g/mol
LogP0.83
Rot. Bonds

About (4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide

(4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 102726810) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound Name(4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID102726810
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESNN=C(N)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C10H20N4/c11-10(13-12)14-7-3-5-8-4-1-2-6-9(8)14/h8-9H,1-7,12H2,(H2,11,13)/t8-,9-/m1/s1
InChIKeyDKUDRNCBXWFCKF-RKDXNWHRSA-N
XLogP0.83
TPSA67.64 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 ≤ 50.83
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'}

Analyze (4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide with MolForge

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 43423021
N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 55064336
N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62361183
N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 62362110
N'-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62362324
N'-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62362325
N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62362326
N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62362552
N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62362553
N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62364477
N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62364478
N'-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 76944292

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of (4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 102726810) is (4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for (4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for (4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is NN=C(N)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of (4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is DKUDRNCBXWFCKF-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20N4/c11-10(13-12)14-7-3-5-8-4-1-2-6-9(8)14/h8-9H,1-7,12H2,(H2,11,13)/t8-,9-/m1/s1.
What are the key properties of (4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
(4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide has a molecular weight of 196.30 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 102726810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).