7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline

C15H23N — CID 157149924

IUPAC7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCN1CCc2ccc(C(C)C)cc2C1
InChIInChI=1S/C15H23N/c1-4-8-16-9-7-13-5-6-14(12(2)3)10-15(13)11-16/h5-6,10,12H,4,7-9,11H2,1-3H3
InChIKeyAGKIKSAKPMNJNJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.58
Rot. Bonds3

About 7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline

7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline (PubChem CID 157149924) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
PubChem CID157149924
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCN1CCc2ccc(C(C)C)cc2C1
InChIInChI=1S/C15H23N/c1-4-8-16-9-7-13-5-6-14(12(2)3)10-15(13)11-16/h5-6,10,12H,4,7-9,11H2,1-3H3
InChIKeyAGKIKSAKPMNJNJ-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline (CID 157149924) is 7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline is CCCN1CCc2ccc(C(C)C)cc2C1.
What is the InChIKey of 7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is AGKIKSAKPMNJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-8-16-9-7-13-5-6-14(12(2)3)10-15(13)11-16/h5-6,10,12H,4,7-9,11H2,1-3H3.
What are the key properties of 7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline?
7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 157149924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).