2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine

C17H28N2 — CID 83144626

IUPAC2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine
SMILESCC(CNCC1CNCc2ccccc21)C(C)(C)C
InChIInChI=1S/C17H28N2/c1-13(17(2,3)4)9-18-11-15-12-19-10-14-7-5-6-8-16(14)15/h5-8,13,15,18-19H,9-12H2,1-4H3
InChIKeyDSMWHOGNMJBMPJ-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.15
Rot. Bonds4

About 2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine

2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine (PubChem CID 83144626) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine
PubChem CID83144626
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine
SMILESCC(CNCC1CNCc2ccccc21)C(C)(C)C
InChIInChI=1S/C17H28N2/c1-13(17(2,3)4)9-18-11-15-12-19-10-14-7-5-6-8-16(14)15/h5-8,13,15,18-19H,9-12H2,1-4H3
InChIKeyDSMWHOGNMJBMPJ-UHFFFAOYSA-N
XLogP3.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine (CID 83144626) is 2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine is CC(CNCC1CNCc2ccccc21)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine?
The InChIKey is DSMWHOGNMJBMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(17(2,3)4)9-18-11-15-12-19-10-14-7-5-6-8-16(14)15/h5-8,13,15,18-19H,9-12H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine?
2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 83144626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).