1-amino-1-ethoxy-2-ethylbutan-1-ol

C8H19NO2 — CID 18005930

IUPAC1-amino-1-ethoxy-2-ethylbutan-1-ol
SMILESCCOC(N)(O)C(CC)CC
InChIInChI=1S/C8H19NO2/c1-4-7(5-2)8(9,10)11-6-3/h7,10H,4-6,9H2,1-3H3
InChIKeyGQFFVMWDFWFZQC-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.06
Rot. Bonds5

About 1-amino-1-ethoxy-2-ethylbutan-1-ol

1-amino-1-ethoxy-2-ethylbutan-1-ol (PubChem CID 18005930) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-amino-1-ethoxy-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-amino-1-ethoxy-2-ethylbutan-1-ol
PubChem CID18005930
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-amino-1-ethoxy-2-ethylbutan-1-ol
SMILESCCOC(N)(O)C(CC)CC
InChIInChI=1S/C8H19NO2/c1-4-7(5-2)8(9,10)11-6-3/h7,10H,4-6,9H2,1-3H3
InChIKeyGQFFVMWDFWFZQC-UHFFFAOYSA-N
XLogP1.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-diamino-4-ethyl-3-methylhexan-3-ol
CID 154164458
1,3-diamino-2-ethoxypropan-2-ol
CID 174780599
1,2-dichloro-1-ethoxyethanol
CID 141026813
1-amino-2-ethoxypropan-2-ol
CID 174792064
1,1-diethoxypropan-1-amine
CID 22735038
3-ethoxypentan-3-amine
CID 87385378
(2S)-4-amino-2-ethoxypentan-2-ol
CID 163736531
2-ethoxy-2-hydroxypropanediamide
CID 45122517
4-(aminomethyl)hexane-3,3-diol
CID 175462556
1,1-dichloro-2-ethoxypropan-2-ol
CID 141478859
acetic acid;triethoxymethanamine
CID 175078602
3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid
CID 87344448

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-ethoxy-2-ethylbutan-1-ol?
The IUPAC name of 1-amino-1-ethoxy-2-ethylbutan-1-ol (CID 18005930) is 1-amino-1-ethoxy-2-ethylbutan-1-ol.
What is the SMILES notation for 1-amino-1-ethoxy-2-ethylbutan-1-ol?
The canonical SMILES for 1-amino-1-ethoxy-2-ethylbutan-1-ol is CCOC(N)(O)C(CC)CC.
What is the InChIKey of 1-amino-1-ethoxy-2-ethylbutan-1-ol?
The InChIKey is GQFFVMWDFWFZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-7(5-2)8(9,10)11-6-3/h7,10H,4-6,9H2,1-3H3.
What are the key properties of 1-amino-1-ethoxy-2-ethylbutan-1-ol?
1-amino-1-ethoxy-2-ethylbutan-1-ol has a molecular weight of 161.24 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-ethoxy-2-ethylbutan-1-ol is sourced from PubChem (CID 18005930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).