N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

C16H24N2O — CID 62118209

IUPACN-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCCCC(CC)NC(=O)C1NCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-3-7-13(4-2)18-16(19)15-14-9-6-5-8-12(14)10-11-17-15/h5-6,8-9,13,15,17H,3-4,7,10-11H2,1-2H3,(H,18,19)
InChIKeyASKHCVLDTVAEER-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.57
Rot. Bonds5

About N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 62118209) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID62118209
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCCCC(CC)NC(=O)C1NCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-3-7-13(4-2)18-16(19)15-14-9-6-5-8-12(14)10-11-17-15/h5-6,8-9,13,15,17H,3-4,7,10-11H2,1-2H3,(H,18,19)
InChIKeyASKHCVLDTVAEER-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 62118209) is N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is CCCC(CC)NC(=O)C1NCCc2ccccc21.
What is the InChIKey of N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is ASKHCVLDTVAEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-7-13(4-2)18-16(19)15-14-9-6-5-8-12(14)10-11-17-15/h5-6,8-9,13,15,17H,3-4,7,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 62118209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).