7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride

C19H33Cl2N3O — CID 119851304

IUPAC7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCCCN1CCc2ccccc2C1
InChIInChI=1S/C19H31N3O.2ClH/c20-12-6-2-1-3-10-19(23)21-13-7-14-22-15-11-17-8-4-5-9-18(17)16-22;;/h4-5,8-9H,1-3,6-7,10-16,20H2,(H,21,23);2*1H
InChIKeyFUYNOKKQNFYQGE-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.30
Rot. Bonds10

About 7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride

7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride (PubChem CID 119851304) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride
PubChem CID119851304
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCCCN1CCc2ccccc2C1
InChIInChI=1S/C19H31N3O.2ClH/c20-12-6-2-1-3-10-19(23)21-13-7-14-22-15-11-17-8-4-5-9-18(17)16-22;;/h4-5,8-9H,1-3,6-7,10-16,20H2,(H,21,23);2*1H
InChIKeyFUYNOKKQNFYQGE-UHFFFAOYSA-N
XLogP3.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 112708220
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide
CID 120564700
6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride
CID 21092218
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(methylamino)butanamide
CID 119850084
2-(cyclopropylmethylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119851340
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 46375691
6-(9H-acridin-10-yl)-N-(5-aminopentyl)hexanamide
CID 66643410
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-phenylacetamide;dihydrochloride
CID 119851308
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990517

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride (CID 119851304) is 7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride is Cl.Cl.NCCCCCCC(=O)NCCCN1CCc2ccccc2C1.
What is the InChIKey of 7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride?
The InChIKey is FUYNOKKQNFYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c20-12-6-2-1-3-10-19(23)21-13-7-14-22-15-11-17-8-4-5-9-18(17)16-22;;/h4-5,8-9H,1-3,6-7,10-16,20H2,(H,21,23);2*1H.
What are the key properties of 7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride?
7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119851304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).