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

C18H28N2O — CID 62424996

IUPACN-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(CN2CCc3ccccc3C2)O1
InChIInChI=1S/C18H28N2O/c1-14(2)19-11-17-7-8-18(21-17)13-20-10-9-15-5-3-4-6-16(15)12-20/h3-6,14,17-19H,7-13H2,1-2H3
InChIKeyYXWBVOHVKNDUMR-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.59
Rot. Bonds5

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

N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62424996) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
PubChem CID62424996
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(CN2CCc3ccccc3C2)O1
InChIInChI=1S/C18H28N2O/c1-14(2)19-11-17-7-8-18(21-17)13-20-10-9-15-5-3-4-6-16(15)12-20/h3-6,14,17-19H,7-13H2,1-2H3
InChIKeyYXWBVOHVKNDUMR-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine (CID 62424996) is N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(CN2CCc3ccccc3C2)O1.
What is the InChIKey of N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is YXWBVOHVKNDUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)19-11-17-7-8-18(21-17)13-20-10-9-15-5-3-4-6-16(15)12-20/h3-6,14,17-19H,7-13H2,1-2H3.
What are the key properties of N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine?
N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.59, 5 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-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62424996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).