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

C16H30N4 — CID 102729284

IUPAC(4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H30N4/c17-19-16(18-14-9-2-1-3-10-14)20-12-6-8-13-7-4-5-11-15(13)20/h13-15H,1-12,17H2,(H,18,19)/t13-,15-/m1/s1
InChIKeyOIYTWQSOPMFPHH-UKRRQHHQSA-N
MW278.44 g/mol
LogP2.79
Rot. Bonds1

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

(4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 102729284) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is (4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound Name(4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID102729284
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name(4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H30N4/c17-19-16(18-14-9-2-1-3-10-14)20-12-6-8-13-7-4-5-11-15(13)20/h13-15H,1-12,17H2,(H,18,19)/t13-,15-/m1/s1
InChIKeyOIYTWQSOPMFPHH-UKRRQHHQSA-N
XLogP2.79
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.79
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'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62364478
N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 77053897
(4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102726810
(4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102726812
(4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102729283
(4aR,8aR)-N-amino-N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102729285
(4aR,8aR)-N-amino-N'-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102729286
(4aR,8aR)-N-amino-N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102729287
(4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102729288
N-amino-N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 104882025
N-amino-N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 104882026
N-amino-N',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 104882364

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of (4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 102729284) is (4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for (4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for (4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is NN/C(=N\C1CCCCC1)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of (4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is OIYTWQSOPMFPHH-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H30N4/c17-19-16(18-14-9-2-1-3-10-14)20-12-6-8-13-7-4-5-11-15(13)20/h13-15H,1-12,17H2,(H,18,19)/t13-,15-/m1/s1.
What are the key properties of (4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
(4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide has a molecular weight of 278.44 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-N-amino-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 102729284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).