4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol

C12H28N2O3 — CID 123353175

IUPAC4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol
SMILESCCNC(O)CCCOCC(N)CCOCC
InChIInChI=1S/C12H28N2O3/c1-3-14-12(15)6-5-8-17-10-11(13)7-9-16-4-2/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyUTJVVSXQVYSLJL-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.47
Rot. Bonds12

About 4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol

4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol (PubChem CID 123353175) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol
PubChem CID123353175
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol
SMILESCCNC(O)CCCOCC(N)CCOCC
InChIInChI=1S/C12H28N2O3/c1-3-14-12(15)6-5-8-17-10-11(13)7-9-16-4-2/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyUTJVVSXQVYSLJL-UHFFFAOYSA-N
XLogP0.47
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-methoxybutan-2-amine
CID 115601761
(2S)-2-amino-4-ethoxybutan-1-ol
CID 55285759
1-ethoxy-4-(2-methoxyethoxy)butan-2-amine
CID 102927951
1-ethoxy-N,5-diethylheptan-4-amine
CID 105168474
1-ethoxynonan-4-amine
CID 105129941
1-(ethylamino)tetradecan-1-ol
CID 88518024
1-ethoxy-5-methoxypentan-3-amine
CID 114997131
1-heptoxypentan-2-amine
CID 62044754
6-ethoxy-3-ethylhexan-2-amine
CID 65181090
7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine
CID 105163264
1-ethoxy-7,7,7-trifluoroheptan-3-amine
CID 105174475
1-ethoxypentan-2-amine
CID 62042543

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol?
The IUPAC name of 4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol (CID 123353175) is 4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol?
The canonical SMILES for 4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol is CCNC(O)CCCOCC(N)CCOCC.
What is the InChIKey of 4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol?
The InChIKey is UTJVVSXQVYSLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-3-14-12(15)6-5-8-17-10-11(13)7-9-16-4-2/h11-12,14-15H,3-10,13H2,1-2H3.
What are the key properties of 4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol?
4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 0.47, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-ethoxybutoxy)-1-(ethylamino)butan-1-ol is sourced from PubChem (CID 123353175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).