N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine

C18H30N2O2 — CID 83956961

IUPACN-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC)c2c(c1OC)CCNC2CCC
InChIInChI=1S/C18H30N2O2/c1-5-7-15-17-14(8-10-20-15)18(22-4)13(11-16(17)21-3)12-19-9-6-2/h11,15,19-20H,5-10,12H2,1-4H3
InChIKeyGCWONBIGZDZIHH-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.19
Rot. Bonds8

About N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine

N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine (PubChem CID 83956961) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine
PubChem CID83956961
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC)c2c(c1OC)CCNC2CCC
InChIInChI=1S/C18H30N2O2/c1-5-7-15-17-14(8-10-20-15)18(22-4)13(11-16(17)21-3)12-19-9-6-2/h11,15,19-20H,5-10,12H2,1-4H3
InChIKeyGCWONBIGZDZIHH-UHFFFAOYSA-N
XLogP3.19
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine
CID 83956957
N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine
CID 83956932
methyl 1-ethyl-6-[(2-hydroxyethylamino)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721693
methyl 6-[(3-hydroxypropylamino)methyl]-5,8-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721690
5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
CID 112514008
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
N-[(4,5-dimethoxy-2-pyrimidin-5-ylphenyl)methyl]propan-1-amine
CID 62490002
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N-propylacetamide
CID 112509705
N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956744
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956970

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine (CID 83956961) is N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine is CCCNCc1cc(OC)c2c(c1OC)CCNC2CCC.
What is the InChIKey of N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine?
The InChIKey is GCWONBIGZDZIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-7-15-17-14(8-10-20-15)18(22-4)13(11-16(17)21-3)12-19-9-6-2/h11,15,19-20H,5-10,12H2,1-4H3.
What are the key properties of N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine?
N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine has a molecular weight of 306.45 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 83956961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).