N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine

C16H26N2 — CID 63939368

IUPACN-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCC(C)CN(C(C)C)C1CNCc2ccccc21
InChIInChI=1S/C16H26N2/c1-12(2)11-18(13(3)4)16-10-17-9-14-7-5-6-8-15(14)16/h5-8,12-13,16-17H,9-11H2,1-4H3
InChIKeyKAPQFUJNPBRXAJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds4

About N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine

N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine (PubChem CID 63939368) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine
PubChem CID63939368
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCC(C)CN(C(C)C)C1CNCc2ccccc21
InChIInChI=1S/C16H26N2/c1-12(2)11-18(13(3)4)16-10-17-9-14-7-5-6-8-15(14)16/h5-8,12-13,16-17H,9-11H2,1-4H3
InChIKeyKAPQFUJNPBRXAJ-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine (CID 63939368) is N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine is CC(C)CN(C(C)C)C1CNCc2ccccc21.
What is the InChIKey of N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The InChIKey is KAPQFUJNPBRXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)11-18(13(3)4)16-10-17-9-14-7-5-6-8-15(14)16/h5-8,12-13,16-17H,9-11H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine?
N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine is sourced from PubChem (CID 63939368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).