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

C11H20N2 — CID 167156538

IUPACN,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine
SMILESC/N=C1/C2CCCCC2CCN1C
InChIInChI=1S/C11H20N2/c1-12-11-10-6-4-3-5-9(10)7-8-13(11)2/h9-10H,3-8H2,1-2H3/b12-11-
InChIKeyNPCNFZUZFVYYML-QXMHVHEDSA-N
MW180.29 g/mol
LogP2.16
Rot. Bonds

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

N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine (PubChem CID 167156538) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine.

Molecular Properties

Compound NameN,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine
PubChem CID167156538
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine
SMILESC/N=C1/C2CCCCC2CCN1C
InChIInChI=1S/C11H20N2/c1-12-11-10-6-4-3-5-9(10)7-8-13(11)2/h9-10H,3-8H2,1-2H3/b12-11-
InChIKeyNPCNFZUZFVYYML-QXMHVHEDSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

Dimethylocta-hydronaphthyridine
CID 129700059
Methylethyloctahydro-naphthyridine
CID 129700063
9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
CID 141370146
9-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
CID 141370148
9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
CID 141370151
9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
CID 141370158
9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
CID 141455141
9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
CID 141455143
CID 142548730
CID 142548730
CID 142548731
CID 142548731
ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine
CID 142615654
3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine
CID 142615655

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine?
The IUPAC name of N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine (CID 167156538) is N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine.
What is the SMILES notation for N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine?
The canonical SMILES for N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine is C/N=C1/C2CCCCC2CCN1C.
What is the InChIKey of N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine?
The InChIKey is NPCNFZUZFVYYML-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H20N2/c1-12-11-10-6-4-3-5-9(10)7-8-13(11)2/h9-10H,3-8H2,1-2H3/b12-11-.
What are the key properties of N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine?
N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine has a molecular weight of 180.29 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine is sourced from PubChem (CID 167156538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).