N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine

C18H34N2O — CID 62426894

IUPACN-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CCCC3CCCCC32)O1
InChIInChI=1S/C18H34N2O/c1-2-11-19-13-16-9-10-17(21-16)14-20-12-5-7-15-6-3-4-8-18(15)20/h15-19H,2-14H2,1H3
InChIKeyYLTKELSEDXTYLW-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds6

About N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine

N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62426894) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
PubChem CID62426894
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CCCC3CCCCC32)O1
InChIInChI=1S/C18H34N2O/c1-2-11-19-13-16-9-10-17(21-16)14-20-12-5-7-15-6-3-4-8-18(15)20/h15-19H,2-14H2,1H3
InChIKeyYLTKELSEDXTYLW-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 62435498
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62439517
N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 82751348
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]propan-1-amine
CID 61387310
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylpropan-1-amine
CID 55070651
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-propylhexan-1-amine
CID 102728574
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62611367
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106589331
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62433524
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55070310
N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62448136
N-[[5-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62432885

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine (CID 62426894) is N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN2CCCC3CCCCC32)O1.
What is the InChIKey of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is YLTKELSEDXTYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-11-19-13-16-9-10-17(21-16)14-20-12-5-7-15-6-3-4-8-18(15)20/h15-19H,2-14H2,1H3.
What are the key properties of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62426894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).