N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine

C18H24N2O — CID 62425596

IUPACN-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCCc3ccccc32)o1
InChIInChI=1S/C18H24N2O/c1-2-11-19-13-16-9-10-17(21-16)14-20-12-5-7-15-6-3-4-8-18(15)20/h3-4,6,8-10,19H,2,5,7,11-14H2,1H3
InChIKeyOCALHJPYMYXKCM-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.73
Rot. Bonds6

About N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine

N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62425596) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62425596
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCCc3ccccc32)o1
InChIInChI=1S/C18H24N2O/c1-2-11-19-13-16-9-10-17(21-16)14-20-12-5-7-15-6-3-4-8-18(15)20/h3-4,6,8-10,19H,2,5,7,11-14H2,1H3
InChIKeyOCALHJPYMYXKCM-UHFFFAOYSA-N
XLogP3.73
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62425759
N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62423399
3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 29033925
N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62439919
N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62439132
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 55054315
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one
CID 113372229
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine
CID 62574477
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pentan-2-amine
CID 55085658

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine (CID 62425596) is N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN2CCCc3ccccc32)o1.
What is the InChIKey of N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is OCALHJPYMYXKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-11-19-13-16-9-10-17(21-16)14-20-12-5-7-15-6-3-4-8-18(15)20/h3-4,6,8-10,19H,2,5,7,11-14H2,1H3.
What are the key properties of N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62425596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).