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

C15H28N4 — CID 102729288

IUPAC(4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESNN/C(=N\C1CCCC1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H28N4/c16-18-15(17-13-8-2-3-9-13)19-11-5-7-12-6-1-4-10-14(12)19/h12-14H,1-11,16H2,(H,17,18)/t12-,14-/m1/s1
InChIKeyXFJRCCIKDZBVMA-TZMCWYRMSA-N
MW264.42 g/mol
LogP2.40
Rot. Bonds1

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

(4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 102729288) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is (4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound Name(4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID102729288
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name(4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESNN/C(=N\C1CCCC1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H28N4/c16-18-15(17-13-8-2-3-9-13)19-11-5-7-12-6-1-4-10-14(12)19/h12-14H,1-11,16H2,(H,17,18)/t12-,14-/m1/s1
InChIKeyXFJRCCIKDZBVMA-TZMCWYRMSA-N
XLogP2.40
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.40
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-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide with MolForge

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Related Compounds

N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62364477
N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 77053897
N-(diaminomethylidene)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 83031551
(4aR,8aR)-N-(diaminomethylidene)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102726803
(4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102726804
(4aR,8aR)-N'-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102726810
(4aR,8aR)-N-amino-N'-(3-methoxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102729282
(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'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102729284
(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

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of (4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 102729288) is (4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for (4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for (4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is NN/C(=N\C1CCCC1)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of (4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is XFJRCCIKDZBVMA-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H28N4/c16-18-15(17-13-8-2-3-9-13)19-11-5-7-12-6-1-4-10-14(12)19/h12-14H,1-11,16H2,(H,17,18)/t12-,14-/m1/s1.
What are the key properties of (4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
(4aR,8aR)-N-amino-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide has a molecular weight of 264.42 g/mol, XLogP of 2.40, 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'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 102729288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).