1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C11H15N3O — CID 82506899

IUPAC1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNCC1c2ccccc2CCN1C(N)=O
InChIInChI=1S/C11H15N3O/c12-7-10-9-4-2-1-3-8(9)5-6-14(10)11(13)15/h1-4,10H,5-7,12H2,(H2,13,15)
InChIKeyAVCLIBHVHASLMT-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.62
Rot. Bonds1

About 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 82506899) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID82506899
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNCC1c2ccccc2CCN1C(N)=O
InChIInChI=1S/C11H15N3O/c12-7-10-9-4-2-1-3-8(9)5-6-14(10)11(13)15/h1-4,10H,5-7,12H2,(H2,13,15)
InChIKeyAVCLIBHVHASLMT-UHFFFAOYSA-N
XLogP0.62
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (1S)-1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 95473848
[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-ethoxycyclobutyl)methanone
CID 167906369
methyl 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate
CID 113369056
2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide
CID 63949438
(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 113369044
1-(aminomethyl)-N-[1-(4-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 167756843
2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide
CID 63947796
2-[[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
CID 871058
(2S)-2-amino-1-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 99704618
1-(1H-indol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 175472959
cyclopent-3-en-1-yl-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71930116
1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 175901516

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 82506899) is 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is NCC1c2ccccc2CCN1C(N)=O.
What is the InChIKey of 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is AVCLIBHVHASLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-7-10-9-4-2-1-3-8(9)5-6-14(10)11(13)15/h1-4,10H,5-7,12H2,(H2,13,15).
What are the key properties of 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 82506899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).