1-methyl-3,4-dipropylisoquinoline

C16H21N — CID 44606949

IUPAC1-methyl-3,4-dipropylisoquinoline
SMILESCCCc1nc(C)c2ccccc2c1CCC
InChIInChI=1S/C16H21N/c1-4-8-15-14-11-7-6-10-13(14)12(3)17-16(15)9-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyZTBGBGHZORDSHE-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.45
Rot. Bonds4

About 1-methyl-3,4-dipropylisoquinoline

1-methyl-3,4-dipropylisoquinoline (PubChem CID 44606949) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-methyl-3,4-dipropylisoquinoline.

Molecular Properties

Compound Name1-methyl-3,4-dipropylisoquinoline
PubChem CID44606949
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1-methyl-3,4-dipropylisoquinoline
SMILESCCCc1nc(C)c2ccccc2c1CCC
InChIInChI=1S/C16H21N/c1-4-8-15-14-11-7-6-10-13(14)12(3)17-16(15)9-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyZTBGBGHZORDSHE-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-methyl-4-propylisoquinoline
CID 153439364
3,4-dibutyl-1-methylisoquinoline
CID 71619287
ethane;9-methyl-10-propylanthracene
CID 144649779
7-chloro-6-methoxy-1-methyl-3,4-dipropylisoquinoline
CID 138975057
2,3-diethyl-1-methyl-4-propylnaphthalene
CID 139700920
4-ethyl-1-methyl-3-phenylisoquinoline
CID 44606951
4-methyl-2-propylquinazoline
CID 102028335
2-methyl-4-propylquinazoline
CID 22419316
9,10-dibutylanthracene
CID 605822
4-butyl-3-(4-fluorophenyl)-1-methylisoquinoline
CID 71619397
1,2,3,4-tetrapropylanthracene
CID 15504630
3-ethyl-1-methyl-4-propylisoquinoline;4-ethyl-1-methyl-3-propylisoquinoline;3-ethyl-2-methyl-4-propylquinoline;4-ethyl-2-methyl-3-propylquinoline;2-ethyl-1-propylnaphthalene;8-ethyl-7-propylquinoline;5-ethyl-6-propylquinoxaline
CID 162202627

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dipropylisoquinoline?
The IUPAC name of 1-methyl-3,4-dipropylisoquinoline (CID 44606949) is 1-methyl-3,4-dipropylisoquinoline.
What is the SMILES notation for 1-methyl-3,4-dipropylisoquinoline?
The canonical SMILES for 1-methyl-3,4-dipropylisoquinoline is CCCc1nc(C)c2ccccc2c1CCC.
What is the InChIKey of 1-methyl-3,4-dipropylisoquinoline?
The InChIKey is ZTBGBGHZORDSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-4-8-15-14-11-7-6-10-13(14)12(3)17-16(15)9-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 1-methyl-3,4-dipropylisoquinoline?
1-methyl-3,4-dipropylisoquinoline has a molecular weight of 227.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dipropylisoquinoline is sourced from PubChem (CID 44606949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).