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

C14H28N4 — CID 102729283

IUPAC(4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H28N4/c1-2-3-10-16-14(17-15)18-11-6-8-12-7-4-5-9-13(12)18/h12-13H,2-11,15H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyOJARRVHRGHSRKM-CHWSQXEVSA-N
MW252.41 g/mol
LogP2.26
Rot. Bonds3

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

(4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 102729283) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is (4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound Name(4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID102729283
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name(4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H28N4/c1-2-3-10-16-14(17-15)18-11-6-8-12-7-4-5-9-13(12)18/h12-13H,2-11,15H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyOJARRVHRGHSRKM-CHWSQXEVSA-N
XLogP2.26
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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'-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'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62362553
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'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102726805
(4aR,8aR)-N'-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102726806
(4aR,8aR)-N'-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102726807

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of (4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 102729283) is (4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for (4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for (4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is CCCC/N=C(\NN)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of (4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is OJARRVHRGHSRKM-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H28N4/c1-2-3-10-16-14(17-15)18-11-6-8-12-7-4-5-9-13(12)18/h12-13H,2-11,15H2,1H3,(H,16,17)/t12-,13-/m1/s1.
What are the key properties of (4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
(4aR,8aR)-N-amino-N'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide has a molecular weight of 252.41 g/mol, XLogP of 2.26, 3 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'-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 102729283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).