N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine

C11H20N2 — CID 156533459

IUPACN,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine
SMILESC/N=C1\CCC2CCCCC2N1C
InChIInChI=1S/C11H20N2/c1-12-11-8-7-9-5-3-4-6-10(9)13(11)2/h9-10H,3-8H2,1-2H3/b12-11+
InChIKeyPPMTVELWTFDBGK-VAWYXSNFSA-N
MW180.29 g/mol
LogP2.30
Rot. Bonds

About N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine

N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine (PubChem CID 156533459) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine.

Molecular Properties

Compound NameN,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine
PubChem CID156533459
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine
SMILESC/N=C1\CCC2CCCCC2N1C
InChIInChI=1S/C11H20N2/c1-12-11-8-7-9-5-3-4-6-10(9)13(11)2/h9-10H,3-8H2,1-2H3/b12-11+
InChIKeyPPMTVELWTFDBGK-VAWYXSNFSA-N
XLogP2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine?
The IUPAC name of N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine (CID 156533459) is N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine.
What is the SMILES notation for N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine?
The canonical SMILES for N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine is C/N=C1\CCC2CCCCC2N1C.
What is the InChIKey of N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine?
The InChIKey is PPMTVELWTFDBGK-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2/c1-12-11-8-7-9-5-3-4-6-10(9)13(11)2/h9-10H,3-8H2,1-2H3/b12-11+.
What are the key properties of N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine?
N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine has a molecular weight of 180.29 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine is sourced from PubChem (CID 156533459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).