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

C16H29N3 — CID 102726812

IUPAC(4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H29N3/c17-16(18-14-9-2-1-3-10-14)19-12-6-8-13-7-4-5-11-15(13)19/h13-15H,1-12H2,(H2,17,18)/t13-,15-/m1/s1
InChIKeyOFRMQPDUMZSYTC-UKRRQHHQSA-N
MW263.43 g/mol
LogP3.29
Rot. Bonds1

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

(4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 102726812) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is (4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound Name(4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID102726812
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name(4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H29N3/c17-16(18-14-9-2-1-3-10-14)19-12-6-8-13-7-4-5-11-15(13)19/h13-15H,1-12H2,(H2,17,18)/t13-,15-/m1/s1
InChIKeyOFRMQPDUMZSYTC-UKRRQHHQSA-N
XLogP3.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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

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Related Compounds

bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methylideneazanide
CID 162358394
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanimine
CID 162358395
1,1-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methylmethanimine
CID 168167121
1,1-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-tert-butylmethanimine
CID 168819987
1,1-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylmethanimine
CID 169970440
3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 43423021
N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 55064197
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-1H-isoquinoline-2-carboximidamide
CID 62361182
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-1H-isoquinoline-2-carboximidamide
CID 62361891
N'-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 62362109

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of (4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 102726812) is (4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for (4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for (4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is N/C(=N\C1CCCCC1)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of (4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is OFRMQPDUMZSYTC-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H29N3/c17-16(18-14-9-2-1-3-10-14)19-12-6-8-13-7-4-5-11-15(13)19/h13-15H,1-12H2,(H2,17,18)/t13-,15-/m1/s1.
What are the key properties of (4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
(4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide has a molecular weight of 263.43 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 102726812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).