[2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C16H22N4 — CID 63948415

IUPAC[2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESNCC1c2ccccc2CCN1CCCn1ccnc1
InChIInChI=1S/C16H22N4/c17-12-16-15-5-2-1-4-14(15)6-10-20(16)9-3-8-19-11-7-18-13-19/h1-2,4-5,7,11,13,16H,3,6,8-10,12,17H2
InChIKeyGAIHPNIINWVXGW-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.83
Rot. Bonds5

About [2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

[2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 63948415) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID63948415
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESNCC1c2ccccc2CCN1CCCn1ccnc1
InChIInChI=1S/C16H22N4/c17-12-16-15-5-2-1-4-14(15)6-10-20(16)9-3-8-19-11-7-18-13-19/h1-2,4-5,7,11,13,16H,3,6,8-10,12,17H2
InChIKeyGAIHPNIINWVXGW-UHFFFAOYSA-N
XLogP1.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-imidazol-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545229
[2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 114528295
[4,5-dichloro-2-(3-imidazol-1-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450092
3-(aminomethyl)-2-(3-imidazol-1-ylpropyl)-N,N-dimethyl-1,3-dihydroisoindol-5-amine
CID 82544969
1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one
CID 82898976
2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 18914329
[2-[(3,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 105404068
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086
[2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 65160763
[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 63949433
[2-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 102856242
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863

Frequently Asked Questions

What is the IUPAC name of [2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 63948415) is [2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is NCC1c2ccccc2CCN1CCCn1ccnc1.
What is the InChIKey of [2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is GAIHPNIINWVXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-12-16-15-5-2-1-4-14(15)6-10-20(16)9-3-8-19-11-7-18-13-19/h1-2,4-5,7,11,13,16H,3,6,8-10,12,17H2.
What are the key properties of [2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 63948415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).