3,7-dipropylisoquinoline

C15H19N — CID 135251714

IUPAC3,7-dipropylisoquinoline
SMILESCCCc1ccc2cc(CCC)ncc2c1
InChIInChI=1S/C15H19N/c1-3-5-12-7-8-13-10-15(6-4-2)16-11-14(13)9-12/h7-11H,3-6H2,1-2H3
InChIKeyNZYMFDAKSPHNSG-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.14
Rot. Bonds4

About 3,7-dipropylisoquinoline

3,7-dipropylisoquinoline (PubChem CID 135251714) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3,7-dipropylisoquinoline.

Molecular Properties

Compound Name3,7-dipropylisoquinoline
PubChem CID135251714
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3,7-dipropylisoquinoline
SMILESCCCc1ccc2cc(CCC)ncc2c1
InChIInChI=1S/C15H19N/c1-3-5-12-7-8-13-10-15(6-4-2)16-11-14(13)9-12/h7-11H,3-6H2,1-2H3
InChIKeyNZYMFDAKSPHNSG-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dipropylisoquinoline?
The IUPAC name of 3,7-dipropylisoquinoline (CID 135251714) is 3,7-dipropylisoquinoline.
What is the SMILES notation for 3,7-dipropylisoquinoline?
The canonical SMILES for 3,7-dipropylisoquinoline is CCCc1ccc2cc(CCC)ncc2c1.
What is the InChIKey of 3,7-dipropylisoquinoline?
The InChIKey is NZYMFDAKSPHNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-5-12-7-8-13-10-15(6-4-2)16-11-14(13)9-12/h7-11H,3-6H2,1-2H3.
What are the key properties of 3,7-dipropylisoquinoline?
3,7-dipropylisoquinoline has a molecular weight of 213.32 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dipropylisoquinoline is sourced from PubChem (CID 135251714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).