4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide

C17H27N3O — CID 120564700

IUPAC4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide
SMILESCC(N)CCC(=O)NCCCN1CCc2ccccc2C1
InChIInChI=1S/C17H27N3O/c1-14(18)7-8-17(21)19-10-4-11-20-12-9-15-5-2-3-6-16(15)13-20/h2-3,5-6,14H,4,7-13,18H2,1H3,(H,19,21)
InChIKeyUXGISSMHGVEZQN-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.68
Rot. Bonds7

About 4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide

4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide (PubChem CID 120564700) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide
PubChem CID120564700
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide
SMILESCC(N)CCC(=O)NCCCN1CCc2ccccc2C1
InChIInChI=1S/C17H27N3O/c1-14(18)7-8-17(21)19-10-4-11-20-12-9-15-5-2-3-6-16(15)13-20/h2-3,5-6,14H,4,7-13,18H2,1H3,(H,19,21)
InChIKeyUXGISSMHGVEZQN-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.68
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
7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride
CID 119851304
4-amino-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]pentanamide;hydrochloride
CID 120562655
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-phenylacetamide;dihydrochloride
CID 119851308
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(methylamino)butanamide
CID 119850084
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
4-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide;dihydrochloride
CID 120564963
ethyl 4-[N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164177
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 46375691
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methylbutanamide
CID 120502990
ethyl 4-[N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164176
2-(cyclopropylmethylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119851340

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide?
The IUPAC name of 4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide (CID 120564700) is 4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide.
What is the SMILES notation for 4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide?
The canonical SMILES for 4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide is CC(N)CCC(=O)NCCCN1CCc2ccccc2C1.
What is the InChIKey of 4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide?
The InChIKey is UXGISSMHGVEZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(18)7-8-17(21)19-10-4-11-20-12-9-15-5-2-3-6-16(15)13-20/h2-3,5-6,14H,4,7-13,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide?
4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide has a molecular weight of 289.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide is sourced from PubChem (CID 120564700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).