2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline

C14H19N — CID 138530633

IUPAC2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc2c(c1)CN(C1CC1)CC2
InChIInChI=1S/C14H19N/c1-2-11-3-4-12-7-8-15(14-5-6-14)10-13(12)9-11/h3-4,9,14H,2,5-8,10H2,1H3
InChIKeyXCNBACZEKUOBMH-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.77
Rot. Bonds2

About 2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline

2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 138530633) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
PubChem CID138530633
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc2c(c1)CN(C1CC1)CC2
InChIInChI=1S/C14H19N/c1-2-11-3-4-12-7-8-15(14-5-6-14)10-13(12)9-11/h3-4,9,14H,2,5-8,10H2,1H3
InChIKeyXCNBACZEKUOBMH-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline (CID 138530633) is 2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline is CCc1ccc2c(c1)CN(C1CC1)CC2.
What is the InChIKey of 2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XCNBACZEKUOBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-11-3-4-12-7-8-15(14-5-6-14)10-13(12)9-11/h3-4,9,14H,2,5-8,10H2,1H3.
What are the key properties of 2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline?
2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 201.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 138530633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).