(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H25N3O — CID 104896465

IUPAC(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(C)N(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H25N3O/c1-12(2)19(3)9-8-17-16(20)15-10-13-6-4-5-7-14(13)11-18-15/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,20)/t15-/m0/s1
InChIKeyQJVAMNMHPVIGKH-HNNXBMFYSA-N
MW275.40 g/mol
LogP1.16
Rot. Bonds5

About (3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 104896465) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID104896465
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(C)N(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H25N3O/c1-12(2)19(3)9-8-17-16(20)15-10-13-6-4-5-7-14(13)11-18-15/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,20)/t15-/m0/s1
InChIKeyQJVAMNMHPVIGKH-HNNXBMFYSA-N
XLogP1.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106047759
(3S)-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 40555754
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 42948597
N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119837640
(3R)-N-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61158740
N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4903679
(3S)-N-[2-(methanesulfonamido)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896151
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 62641372
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
(3S)-N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896423
(3S)-N-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 93451421
(3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106247547

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 104896465) is (3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CC(C)N(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is QJVAMNMHPVIGKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)19(3)9-8-17-16(20)15-10-13-6-4-5-7-14(13)11-18-15/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,20)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 104896465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).