N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H22N2O — CID 103796884

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC1(C)CC1CNC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C16H22N2O/c1-16(2)8-13(16)10-18-15(19)14-7-11-5-3-4-6-12(11)9-17-14/h3-6,13-14,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyBESINTZDECZJBT-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.86
Rot. Bonds3

About N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 103796884) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID103796884
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC1(C)CC1CNC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C16H22N2O/c1-16(2)8-13(16)10-18-15(19)14-7-11-5-3-4-6-12(11)9-17-14/h3-6,13-14,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyBESINTZDECZJBT-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 103796884) is N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CC1(C)CC1CNC(=O)C1Cc2ccccc2CN1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is BESINTZDECZJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2)8-13(16)10-18-15(19)14-7-11-5-3-4-6-12(11)9-17-14/h3-6,13-14,17H,7-10H2,1-2H3,(H,18,19).
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 103796884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).