N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine

C18H23N3 — CID 62284463

IUPACN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C18H23N3/c1-2-9-19-13-15-7-10-20-18(12-15)21-11-8-16-5-3-4-6-17(16)14-21/h3-7,10,12,19H,2,8-9,11,13-14H2,1H3
InChIKeyFOAJINSQNQMLDA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.14
Rot. Bonds5

About N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine

N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 62284463) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID62284463
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C18H23N3/c1-2-9-19-13-15-7-10-20-18(12-15)21-11-8-16-5-3-4-6-17(16)14-21/h3-7,10,12,19H,2,8-9,11,13-14H2,1H3
InChIKeyFOAJINSQNQMLDA-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-1-amine
CID 43280829
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114412468
N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 55059346
N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62285719
N-[[2-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114539900
N-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluorophenyl]methyl]butan-1-amine
CID 84753457
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide;hydrochloride
CID 141068267
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpyrimidin-2-amine
CID 112894232
1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 63192955
N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 114925111

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine (CID 62284463) is N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(N2CCc3ccccc3C2)c1.
What is the InChIKey of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is FOAJINSQNQMLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-9-19-13-15-7-10-20-18(12-15)21-11-8-16-5-3-4-6-17(16)14-21/h3-7,10,12,19H,2,8-9,11,13-14H2,1H3.
What are the key properties of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62284463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).