N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine

C13H27NO3 — CID 55088682

IUPACN-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCCOCCCNCC(C)OCC1CCCO1
InChIInChI=1S/C13H27NO3/c1-3-15-8-5-7-14-10-12(2)17-11-13-6-4-9-16-13/h12-14H,3-11H2,1-2H3
InChIKeyMKNDWGDFBVYKES-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.59
Rot. Bonds10

About N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine

N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine (PubChem CID 55088682) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
PubChem CID55088682
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCCOCCCNCC(C)OCC1CCCO1
InChIInChI=1S/C13H27NO3/c1-3-15-8-5-7-14-10-12(2)17-11-13-6-4-9-16-13/h12-14H,3-11H2,1-2H3
InChIKeyMKNDWGDFBVYKES-UHFFFAOYSA-N
XLogP1.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
CID 43205736
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194
N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62443749
N-[2-(oxolan-2-ylmethoxy)propyl]cyclohexanamine
CID 62572342
3-ethoxy-N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 106495895
2-cyclobutyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 62582894
2-cyclopentyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 62564975
2-cyclohexyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 55088192
4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115710165

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine (CID 55088682) is N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine is CCOCCCNCC(C)OCC1CCCO1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine?
The InChIKey is MKNDWGDFBVYKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-15-8-5-7-14-10-12(2)17-11-13-6-4-9-16-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine?
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 55088682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).