N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C16H24N2O — CID 110289048

IUPACN,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc2c(c1)CCN(C(=O)N(C)C)C2C(C)C
InChIInChI=1S/C16H24N2O/c1-11(2)15-14-7-6-12(3)10-13(14)8-9-18(15)16(19)17(4)5/h6-7,10-11,15H,8-9H2,1-5H3
InChIKeyPIAGLHZLOJQEFX-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.23
Rot. Bonds1

About N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 110289048) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID110289048
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc2c(c1)CCN(C(=O)N(C)C)C2C(C)C
InChIInChI=1S/C16H24N2O/c1-11(2)15-14-7-6-12(3)10-13(14)8-9-18(15)16(19)17(4)5/h6-7,10-11,15H,8-9H2,1-5H3
InChIKeyPIAGLHZLOJQEFX-UHFFFAOYSA-N
XLogP3.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 110289048) is N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1ccc2c(c1)CCN(C(=O)N(C)C)C2C(C)C.
What is the InChIKey of N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is PIAGLHZLOJQEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)15-14-7-6-12(3)10-13(14)8-9-18(15)16(19)17(4)5/h6-7,10-11,15H,8-9H2,1-5H3.
What are the key properties of N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 110289048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).