4-ethoxy-1-methoxybutan-2-amine

C7H17NO2 — CID 115601761

IUPAC4-ethoxy-1-methoxybutan-2-amine
SMILESCCOCCC(N)COC
InChIInChI=1S/C7H17NO2/c1-3-10-5-4-7(8)6-9-2/h7H,3-6,8H2,1-2H3
InChIKeyUJMJELKAAHVZEV-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.39
Rot. Bonds6

About 4-ethoxy-1-methoxybutan-2-amine

4-ethoxy-1-methoxybutan-2-amine (PubChem CID 115601761) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-ethoxy-1-methoxybutan-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-methoxybutan-2-amine
PubChem CID115601761
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name4-ethoxy-1-methoxybutan-2-amine
SMILESCCOCCC(N)COC
InChIInChI=1S/C7H17NO2/c1-3-10-5-4-7(8)6-9-2/h7H,3-6,8H2,1-2H3
InChIKeyUJMJELKAAHVZEV-UHFFFAOYSA-N
XLogP0.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.39
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

1-ethoxy-5-methoxypentan-3-amine
CID 114997131
1-ethoxy-4-(2-methoxyethoxy)butan-2-amine
CID 102927951
(2S)-2-amino-4-ethoxybutan-1-ol
CID 55285759
4-ethoxy-1-methoxy-2-methylbutane
CID 102175642
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203
N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide
CID 106243005
(2S)-1-fluoro-3-methoxypropan-2-amine
CID 22789989
1-ethoxypentan-2-amine
CID 62042543
(3R)-3-amino-4-methoxybutan-1-ol
CID 95241115
4-ethoxy-1-methylsulfonylbutan-2-amine
CID 114997362
4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol
CID 123353175
1-ethoxy-7,7,7-trifluoroheptan-3-amine
CID 105174475

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methoxybutan-2-amine?
The IUPAC name of 4-ethoxy-1-methoxybutan-2-amine (CID 115601761) is 4-ethoxy-1-methoxybutan-2-amine.
What is the SMILES notation for 4-ethoxy-1-methoxybutan-2-amine?
The canonical SMILES for 4-ethoxy-1-methoxybutan-2-amine is CCOCCC(N)COC.
What is the InChIKey of 4-ethoxy-1-methoxybutan-2-amine?
The InChIKey is UJMJELKAAHVZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-10-5-4-7(8)6-9-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-ethoxy-1-methoxybutan-2-amine?
4-ethoxy-1-methoxybutan-2-amine has a molecular weight of 147.22 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methoxybutan-2-amine is sourced from PubChem (CID 115601761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).