N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine

C15H31NO2 — CID 113448609

IUPACN-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCCCCOCC(NCCC)C1CCOC1
InChIInChI=1S/C15H31NO2/c1-3-5-6-7-10-17-13-15(16-9-4-2)14-8-11-18-12-14/h14-16H,3-13H2,1-2H3
InChIKeyPBENZVLDLPIQPB-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds11

About N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine

N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 113448609) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID113448609
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCCCCOCC(NCCC)C1CCOC1
InChIInChI=1S/C15H31NO2/c1-3-5-6-7-10-17-13-15(16-9-4-2)14-8-11-18-12-14/h14-16H,3-13H2,1-2H3
InChIKeyPBENZVLDLPIQPB-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
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-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
CID 63564947
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
2-hexoxy-1-(oxolan-3-yl)ethanol
CID 104753611
N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine
CID 106447324
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
N-(3-ethoxypropyl)-1-(oxolan-3-yl)propan-1-amine
CID 115704270
2-(2-cyclobutylethoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 106201025
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
N-(2-ethoxyethyl)-1-(oxolan-3-yl)propan-1-amine
CID 115709966

Frequently Asked Questions

What is the IUPAC name of N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 113448609) is N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCCCCOCC(NCCC)C1CCOC1.
What is the InChIKey of N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is PBENZVLDLPIQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-5-6-7-10-17-13-15(16-9-4-2)14-8-11-18-12-14/h14-16H,3-13H2,1-2H3.
What are the key properties of N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 113448609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).