2-ethyl-3-propan-2-yl-1H-isoquinoline

C14H19N — CID 71152014

IUPAC2-ethyl-3-propan-2-yl-1H-isoquinoline
SMILESCCN1Cc2ccccc2C=C1C(C)C
InChIInChI=1S/C14H19N/c1-4-15-10-13-8-6-5-7-12(13)9-14(15)11(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyDNAMBUUJEBXHRN-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.52
Rot. Bonds2

About 2-ethyl-3-propan-2-yl-1H-isoquinoline

2-ethyl-3-propan-2-yl-1H-isoquinoline (PubChem CID 71152014) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethyl-3-propan-2-yl-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-3-propan-2-yl-1H-isoquinoline
PubChem CID71152014
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-ethyl-3-propan-2-yl-1H-isoquinoline
SMILESCCN1Cc2ccccc2C=C1C(C)C
InChIInChI=1S/C14H19N/c1-4-15-10-13-8-6-5-7-12(13)9-14(15)11(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyDNAMBUUJEBXHRN-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-propan-2-yl-1H-isoquinoline?
The IUPAC name of 2-ethyl-3-propan-2-yl-1H-isoquinoline (CID 71152014) is 2-ethyl-3-propan-2-yl-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-3-propan-2-yl-1H-isoquinoline?
The canonical SMILES for 2-ethyl-3-propan-2-yl-1H-isoquinoline is CCN1Cc2ccccc2C=C1C(C)C.
What is the InChIKey of 2-ethyl-3-propan-2-yl-1H-isoquinoline?
The InChIKey is DNAMBUUJEBXHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-4-15-10-13-8-6-5-7-12(13)9-14(15)11(2)3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 2-ethyl-3-propan-2-yl-1H-isoquinoline?
2-ethyl-3-propan-2-yl-1H-isoquinoline has a molecular weight of 201.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propan-2-yl-1H-isoquinoline is sourced from PubChem (CID 71152014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).