N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride

C14H23Cl2N3O — CID 42948597

IUPACN-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
SMILESCN(C)CCNC(=O)C1Cc2ccccc2CN1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-17(2)8-7-15-14(18)13-9-11-5-3-4-6-12(11)10-16-13;;/h3-6,13,16H,7-10H2,1-2H3,(H,15,18);2*1H
InChIKeyORXPWPHKNKDXKH-UHFFFAOYSA-N
MW320.26 g/mol
LogP1.22
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride

N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride (PubChem CID 42948597) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
PubChem CID42948597
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC NameN-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
SMILESCN(C)CCNC(=O)C1Cc2ccccc2CN1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-17(2)8-7-15-14(18)13-9-11-5-3-4-6-12(11)10-16-13;;/h3-6,13,16H,7-10H2,1-2H3,(H,15,18);2*1H
InChIKeyORXPWPHKNKDXKH-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 40555754
(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896465
N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119837640
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106047759
N-(2-cyclopropylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119039078
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
(3R)-N-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61158740
N-(3-amino-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43553630
N-[2-(dimethylamino)-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61250382
(3S)-N-[2-(methanesulfonamido)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896151
N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4903679
(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106148540

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride (CID 42948597) is N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride is CN(C)CCNC(=O)C1Cc2ccccc2CN1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The InChIKey is ORXPWPHKNKDXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-17(2)8-7-15-14(18)13-9-11-5-3-4-6-12(11)10-16-13;;/h3-6,13,16H,7-10H2,1-2H3,(H,15,18);2*1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride is sourced from PubChem (CID 42948597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).