4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline

C16H25N — CID 64687194

IUPAC4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCc1ccc2c(c1)C(C(C)C)NCC2C
InChIInChI=1S/C16H25N/c1-5-6-13-7-8-14-12(4)10-17-16(11(2)3)15(14)9-13/h7-9,11-12,16-17H,5-6,10H2,1-4H3
InChIKeyCXKDXAMSLQMYPD-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.04
Rot. Bonds3

About 4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline

4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64687194) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64687194
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCc1ccc2c(c1)C(C(C)C)NCC2C
InChIInChI=1S/C16H25N/c1-5-6-13-7-8-14-12(4)10-17-16(11(2)3)15(14)9-13/h7-9,11-12,16-17H,5-6,10H2,1-4H3
InChIKeyCXKDXAMSLQMYPD-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline (CID 64687194) is 4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline is CCCc1ccc2c(c1)C(C(C)C)NCC2C.
What is the InChIKey of 4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CXKDXAMSLQMYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-6-13-7-8-14-12(4)10-17-16(11(2)3)15(14)9-13/h7-9,11-12,16-17H,5-6,10H2,1-4H3.
What are the key properties of 4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline?
4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 231.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64687194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).