N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine

C12H25NO2 — CID 103581433

IUPACN-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine
SMILESCCCCOCCNC1(C)CCOC1C
InChIInChI=1S/C12H25NO2/c1-4-5-8-14-10-7-13-12(3)6-9-15-11(12)2/h11,13H,4-10H2,1-3H3
InChIKeyVOLZCAZOFBDHOG-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds7

About N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine

N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine (PubChem CID 103581433) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine
PubChem CID103581433
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine
SMILESCCCCOCCNC1(C)CCOC1C
InChIInChI=1S/C12H25NO2/c1-4-5-8-14-10-7-13-12(3)6-9-15-11(12)2/h11,13H,4-10H2,1-3H3
InChIKeyVOLZCAZOFBDHOG-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
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-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine
CID 103581457
N-hexyl-2,3-dimethyloxolan-3-amine
CID 103581298
2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
CID 103581336
N-ethyl-2,3-dimethyloxolan-3-amine
CID 103581198
N-(3-fluoropropyl)-2,3-dimethyloxolan-3-amine
CID 103581461
N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine
CID 103581413
N-(2,3-dimethyloxolan-3-yl)-N',N'-diethylethane-1,2-diamine
CID 103581353
N-(cyclobutylmethyl)-2,3-dimethyloxolan-3-amine
CID 103581449
N-(2-cyclohexylethyl)-2,3-dimethyloxolan-3-amine
CID 103529185
methyl 4-[[(2R,3R)-2,3-dimethyloxolan-3-yl]amino]butanoate
CID 124681147
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)-2-methyloxolane
CID 114535773
3-[(2,3-dimethyloxolan-3-yl)amino]-N,N-dimethylpropanamide
CID 103581108

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine (CID 103581433) is N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine is CCCCOCCNC1(C)CCOC1C.
What is the InChIKey of N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine?
The InChIKey is VOLZCAZOFBDHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-5-8-14-10-7-13-12(3)6-9-15-11(12)2/h11,13H,4-10H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine?
N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).