N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

C18H30N2O — CID 62419666

IUPACN-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN(CC)Cc2ccccc2)O1
InChIInChI=1S/C18H30N2O/c1-3-12-19-13-17-10-11-18(21-17)15-20(4-2)14-16-8-6-5-7-9-16/h5-9,17-19H,3-4,10-15H2,1-2H3
InChIKeyUJVLAMXBHUZECY-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.06
Rot. Bonds9

About N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62419666) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID62419666
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN(CC)Cc2ccccc2)O1
InChIInChI=1S/C18H30N2O/c1-3-12-19-13-17-10-11-18(21-17)15-20(4-2)14-16-8-6-5-7-9-16/h5-9,17-19H,3-4,10-15H2,1-2H3
InChIKeyUJVLAMXBHUZECY-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62461228
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62413670
N'-benzyl-N-(cyclohexylmethyl)-N'-ethylethane-1,2-diamine
CID 63503034
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62437687
N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62431296
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine
CID 65486176
N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
CID 62436901
4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62437113
N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline
CID 64584279
N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62458867
N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-N-ethylaniline
CID 62423255
N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine
CID 102997663

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 62419666) is N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN(CC)Cc2ccccc2)O1.
What is the InChIKey of N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is UJVLAMXBHUZECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-12-19-13-17-10-11-18(21-17)15-20(4-2)14-16-8-6-5-7-9-16/h5-9,17-19H,3-4,10-15H2,1-2H3.
What are the key properties of N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62419666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).