N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C15H23N3O — CID 110489069

IUPACN-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2c(c1)CCNC2
InChIInChI=1S/C15H23N3O/c1-18(2)9-3-7-17-15(19)13-4-5-14-11-16-8-6-12(14)10-13/h4-5,10,16H,3,6-9,11H2,1-2H3,(H,17,19)
InChIKeyNTDNFAUMSYNABX-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.01
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 110489069) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID110489069
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2c(c1)CCNC2
InChIInChI=1S/C15H23N3O/c1-18(2)9-3-7-17-15(19)13-4-5-14-11-16-8-6-12(14)10-13/h4-5,10,16H,3,6-9,11H2,1-2H3,(H,17,19)
InChIKeyNTDNFAUMSYNABX-UHFFFAOYSA-N
XLogP1.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784514
N-[3-(dimethylamino)propyl]-2-(2-methoxyacetyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 155995285
N-(3-aminopropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998692
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 114264864
N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489043
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106148075
N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997919
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 110489069) is N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is CN(C)CCCNC(=O)c1ccc2c(c1)CCNC2.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is NTDNFAUMSYNABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)9-3-7-17-15(19)13-4-5-14-11-16-8-6-12(14)10-13/h4-5,10,16H,3,6-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 110489069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).