4-(2,2-diethoxyethylamino)butan-1-ol

C10H23NO3 — CID 106841702

IUPAC4-(2,2-diethoxyethylamino)butan-1-ol
SMILESCCOC(CNCCCCO)OCC
InChIInChI=1S/C10H23NO3/c1-3-13-10(14-4-2)9-11-7-5-6-8-12/h10-12H,3-9H2,1-2H3
InChIKeyMSUJGPKAWLXTTG-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.75
Rot. Bonds10

About 4-(2,2-diethoxyethylamino)butan-1-ol

4-(2,2-diethoxyethylamino)butan-1-ol (PubChem CID 106841702) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(2,2-diethoxyethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,2-diethoxyethylamino)butan-1-ol
PubChem CID106841702
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name4-(2,2-diethoxyethylamino)butan-1-ol
SMILESCCOC(CNCCCCO)OCC
InChIInChI=1S/C10H23NO3/c1-3-13-10(14-4-2)9-11-7-5-6-8-12/h10-12H,3-9H2,1-2H3
InChIKeyMSUJGPKAWLXTTG-UHFFFAOYSA-N
XLogP0.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine
CID 78914464
6-(2,3-dimethylbutylamino)hexan-1-ol
CID 107703430
N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 81094464
5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol
CID 107317289
3-(2,2-diethoxyethylamino)-2-hydroxypropanamide
CID 106174370
N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide
CID 81095053
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
[1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol
CID 115454682
8-(undecylamino)octan-1-ol
CID 139305047
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethylamino)butan-1-ol?
The IUPAC name of 4-(2,2-diethoxyethylamino)butan-1-ol (CID 106841702) is 4-(2,2-diethoxyethylamino)butan-1-ol.
What is the SMILES notation for 4-(2,2-diethoxyethylamino)butan-1-ol?
The canonical SMILES for 4-(2,2-diethoxyethylamino)butan-1-ol is CCOC(CNCCCCO)OCC.
What is the InChIKey of 4-(2,2-diethoxyethylamino)butan-1-ol?
The InChIKey is MSUJGPKAWLXTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-3-13-10(14-4-2)9-11-7-5-6-8-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-(2,2-diethoxyethylamino)butan-1-ol?
4-(2,2-diethoxyethylamino)butan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 0.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethylamino)butan-1-ol is sourced from PubChem (CID 106841702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).