N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine

C12H27NO3 — CID 102928377

IUPACN-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine
SMILESCCNC(CCOCCOC)COC(C)C
InChIInChI=1S/C12H27NO3/c1-5-13-12(10-16-11(2)3)6-7-15-9-8-14-4/h11-13H,5-10H2,1-4H3
InChIKeyJROOJZSFXLCRIS-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.44
Rot. Bonds11

About N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine

N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine (PubChem CID 102928377) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine
PubChem CID102928377
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC NameN-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine
SMILESCCNC(CCOCCOC)COC(C)C
InChIInChI=1S/C12H27NO3/c1-5-13-12(10-16-11(2)3)6-7-15-9-8-14-4/h11-13H,5-10H2,1-4H3
InChIKeyJROOJZSFXLCRIS-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.44
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

N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
CID 115001748
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
N-ethyl-1-(2-propan-2-yloxyethoxy)pentan-2-amine
CID 62042339
N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine
CID 102928326
1,4-diethoxy-N-ethylbutan-2-amine
CID 105165238
N,5-diethyl-1-(2-methoxyethoxy)nonan-3-amine
CID 102928484
N-ethyl-4-methyl-1-propan-2-yloxypentan-2-amine
CID 79574126
methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate
CID 63040990
N-ethyl-1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-amine
CID 107506869
N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine
CID 114032839
N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine
CID 114201763
N,4-diethyl-1-propan-2-yloxyhexan-2-amine
CID 105176889

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine?
The IUPAC name of N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine (CID 102928377) is N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine?
The canonical SMILES for N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine is CCNC(CCOCCOC)COC(C)C.
What is the InChIKey of N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine?
The InChIKey is JROOJZSFXLCRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-5-13-12(10-16-11(2)3)6-7-15-9-8-14-4/h11-13H,5-10H2,1-4H3.
What are the key properties of N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine?
N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 1.44, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 102928377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).