1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline

C25H34N2 — CID 25063299

IUPAC1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cccc2c1C(CCCC1c3c(C)cccc3CCN1C)N(C)CC2
InChIInChI=1S/C25H34N2/c1-18-8-5-10-20-14-16-26(3)22(24(18)20)12-7-13-23-25-19(2)9-6-11-21(25)15-17-27(23)4/h5-6,8-11,22-23H,7,12-17H2,1-4H3
InChIKeyNYSVWQCVCDHVOY-UHFFFAOYSA-N
MW362.56 g/mol
LogP5.23
Rot. Bonds4

About 1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline

1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 25063299) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID25063299
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cccc2c1C(CCCC1c3c(C)cccc3CCN1C)N(C)CC2
InChIInChI=1S/C25H34N2/c1-18-8-5-10-20-14-16-26(3)22(24(18)20)12-7-13-23-25-19(2)9-6-11-21(25)15-17-27(23)4/h5-6,8-11,22-23H,7,12-17H2,1-4H3
InChIKeyNYSVWQCVCDHVOY-UHFFFAOYSA-N
XLogP5.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline (CID 25063299) is 1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline is Cc1cccc2c1C(CCCC1c3c(C)cccc3CCN1C)N(C)CC2.
What is the InChIKey of 1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is NYSVWQCVCDHVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2/c1-18-8-5-10-20-14-16-26(3)22(24(18)20)12-7-13-23-25-19(2)9-6-11-21(25)15-17-27(23)4/h5-6,8-11,22-23H,7,12-17H2,1-4H3.
What are the key properties of 1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 362.56 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)propyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 25063299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).