6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine

C17H32N2 — CID 170197366

IUPAC6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine
SMILESCC(C)/N=C1\C2CCC(C)(C)CC2CCN1C(C)C
InChIInChI=1S/C17H32N2/c1-12(2)18-16-15-7-9-17(5,6)11-14(15)8-10-19(16)13(3)4/h12-15H,7-11H2,1-6H3/b18-16+
InChIKeyKSQBQRUWHMZWJJ-FBMGVBCBSA-N
MW264.46 g/mol
LogP4.35
Rot. Bonds2

About 6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine

6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine (PubChem CID 170197366) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine.

Molecular Properties

Compound Name6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine
PubChem CID170197366
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine
SMILESCC(C)/N=C1\C2CCC(C)(C)CC2CCN1C(C)C
InChIInChI=1S/C17H32N2/c1-12(2)18-16-15-7-9-17(5,6)11-14(15)8-10-19(16)13(3)4/h12-15H,7-11H2,1-6H3/b18-16+
InChIKeyKSQBQRUWHMZWJJ-FBMGVBCBSA-N
XLogP4.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.35
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 6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine?
The IUPAC name of 6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine (CID 170197366) is 6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine.
What is the SMILES notation for 6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine?
The canonical SMILES for 6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine is CC(C)/N=C1\C2CCC(C)(C)CC2CCN1C(C)C.
What is the InChIKey of 6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine?
The InChIKey is KSQBQRUWHMZWJJ-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H32N2/c1-12(2)18-16-15-7-9-17(5,6)11-14(15)8-10-19(16)13(3)4/h12-15H,7-11H2,1-6H3/b18-16+.
What are the key properties of 6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine?
6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine has a molecular weight of 264.46 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N,2-di(propan-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-isoquinolin-1-imine is sourced from PubChem (CID 170197366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).