N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide

C13H25N3 — CID 62362326

IUPACN'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCCC2CCCCC21
InChIInChI=1S/C13H25N3/c1-10(2)15-13(14)16-9-5-7-11-6-3-4-8-12(11)16/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyJFAMBGPGZNIKJB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.36
Rot. Bonds1

About N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide

N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 62362326) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID62362326
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCCC2CCCCC21
InChIInChI=1S/C13H25N3/c1-10(2)15-13(14)16-9-5-7-11-6-3-4-8-12(11)16/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyJFAMBGPGZNIKJB-UHFFFAOYSA-N
XLogP2.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.36
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 62362326) is N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is CC(C)/N=C(\N)N1CCCC2CCCCC21.
What is the InChIKey of N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is JFAMBGPGZNIKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)15-13(14)16-9-5-7-11-6-3-4-8-12(11)16/h10-12H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide has a molecular weight of 223.36 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 62362326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).