2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine

C13H27NO2 — CID 115757125

IUPAC2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine
SMILESCCC(CC)CNCCCOC1CCOC1
InChIInChI=1S/C13H27NO2/c1-3-12(4-2)10-14-7-5-8-16-13-6-9-15-11-13/h12-14H,3-11H2,1-2H3
InChIKeyORJWOAPAVSDLCJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds9

About 2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine

2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine (PubChem CID 115757125) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine
PubChem CID115757125
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine
SMILESCCC(CC)CNCCCOC1CCOC1
InChIInChI=1S/C13H27NO2/c1-3-12(4-2)10-14-7-5-8-16-13-6-9-15-11-13/h12-14H,3-11H2,1-2H3
InChIKeyORJWOAPAVSDLCJ-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
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

2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine
CID 115690996
2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
CID 119812727
3-propoxyoxolane
CID 14071397
1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine
CID 115727743
N-ethyl-5-(oxolan-3-yloxy)pentan-2-amine
CID 63557232
2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine
CID 103074792
2-methoxy-N-[2-(oxolan-3-yloxy)ethyl]ethanamine
CID 63558119
2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride
CID 119340229
2-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]propanamide;hydrochloride
CID 119340219
(3R)-3-(3-bromopropoxy)oxolane
CID 95240996
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine
CID 115690981

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine (CID 115757125) is 2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine is CCC(CC)CNCCCOC1CCOC1.
What is the InChIKey of 2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine?
The InChIKey is ORJWOAPAVSDLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-12(4-2)10-14-7-5-8-16-13-6-9-15-11-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine?
2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine is sourced from PubChem (CID 115757125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).