N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine

C18H27NO2 — CID 76943798

IUPACN-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COCC=Cc2ccccc2)O1
InChIInChI=1S/C18H27NO2/c1-15(2)19-13-17-10-11-18(21-17)14-20-12-6-9-16-7-4-3-5-8-16/h3-9,15,17-19H,10-14H2,1-2H3
InChIKeyHXKJGCGWHPNLDI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.26
Rot. Bonds8

About N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine

N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine (PubChem CID 76943798) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine
PubChem CID76943798
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COCC=Cc2ccccc2)O1
InChIInChI=1S/C18H27NO2/c1-15(2)19-13-17-10-11-18(21-17)14-20-12-6-9-16-7-4-3-5-8-16/h3-9,15,17-19H,10-14H2,1-2H3
InChIKeyHXKJGCGWHPNLDI-UHFFFAOYSA-N
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.26
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-methyl-1-[5-[[(E)-3-phenylprop-2-enoxy]methyl]oxolan-2-yl]methanamine
CID 55077865
N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62486972
N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62446409
2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 79627713
N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 55070066
3-(3-phenylprop-2-enoxymethyl)piperidine
CID 76940377
N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 55077251
N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 82958605
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
2-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 62430750
N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 76943780
1-(3-phenylprop-2-enoxy)propan-2-ol
CID 70377991

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine (CID 76943798) is N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(COCC=Cc2ccccc2)O1.
What is the InChIKey of N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is HXKJGCGWHPNLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-15(2)19-13-17-10-11-18(21-17)14-20-12-6-9-16-7-4-3-5-8-16/h3-9,15,17-19H,10-14H2,1-2H3.
What are the key properties of N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 76943798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).