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

C14H27N3 — CID 55064336

IUPACN'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCCC2CCCCC21
InChIInChI=1S/C14H27N3/c1-14(2,3)16-13(15)17-10-6-8-11-7-4-5-9-12(11)17/h11-12H,4-10H2,1-3H3,(H2,15,16)
InChIKeyBXJZDQHQQURFBD-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.75
Rot. Bonds

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

N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 55064336) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID55064336
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCCC2CCCCC21
InChIInChI=1S/C14H27N3/c1-14(2,3)16-13(15)17-10-6-8-11-7-4-5-9-12(11)17/h11-12H,4-10H2,1-3H3,(H2,15,16)
InChIKeyBXJZDQHQQURFBD-UHFFFAOYSA-N
XLogP2.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.75
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'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 55064336) is N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is CC(C)(C)/N=C(\N)N1CCCC2CCCCC21.
What is the InChIKey of N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is BXJZDQHQQURFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14(2,3)16-13(15)17-10-6-8-11-7-4-5-9-12(11)17/h11-12H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide has a molecular weight of 237.39 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 55064336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).