1,1-bis(diethylamino)ethanol;butanedioic acid

C14H30N2O5 — CID 175360043

IUPAC1,1-bis(diethylamino)ethanol;butanedioic acid
SMILESCCN(CC)C(C)(O)N(CC)CC.O=C(O)CCC(=O)O
InChIInChI=1S/C10H24N2O.C4H6O4/c1-6-11(7-2)10(5,13)12(8-3)9-4;5-3(6)1-2-4(7)8/h13H,6-9H2,1-5H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyIFANUTFPDHTLNA-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.27
Rot. Bonds9

About 1,1-bis(diethylamino)ethanol;butanedioic acid

1,1-bis(diethylamino)ethanol;butanedioic acid (PubChem CID 175360043) has the molecular formula C14H30N2O5 and a molecular weight of 306.40 g/mol. Its IUPAC name is 1,1-bis(diethylamino)ethanol;butanedioic acid.

Molecular Properties

Compound Name1,1-bis(diethylamino)ethanol;butanedioic acid
PubChem CID175360043
Molecular FormulaC14H30N2O5
Molecular Weight306.40 g/mol
Exact Mass306.22
IUPAC Name1,1-bis(diethylamino)ethanol;butanedioic acid
SMILESCCN(CC)C(C)(O)N(CC)CC.O=C(O)CCC(=O)O
InChIInChI=1S/C10H24N2O.C4H6O4/c1-6-11(7-2)10(5,13)12(8-3)9-4;5-3(6)1-2-4(7)8/h13H,6-9H2,1-5H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyIFANUTFPDHTLNA-UHFFFAOYSA-N
XLogP1.27
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,1-bis(diethylamino)ethanol;butanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-bis(diethylamino)ethanol;hexanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175127246
1-aminopropane-1,1-diol;butanedioic acid
CID 175193728
3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid
CID 58066359
butane;butanedioic acid
CID 158477539
13-(diethylaminomethyl)-13-hydroxypentacosanedioic acid
CID 57000649
2-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061531
butanoic acid;heptahydrofluoride
CID 172757824
azane;butanedioic acid;ethanol
CID 87975822
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
CID 79386088
hexanoic acid;2-methylpropan-2-ol
CID 161308342
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
3-(diethylamino)-2,2,3-trimethylbutanoic acid
CID 79695117

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(diethylamino)ethanol;butanedioic acid?
The IUPAC name of 1,1-bis(diethylamino)ethanol;butanedioic acid (CID 175360043) is 1,1-bis(diethylamino)ethanol;butanedioic acid.
What is the SMILES notation for 1,1-bis(diethylamino)ethanol;butanedioic acid?
The canonical SMILES for 1,1-bis(diethylamino)ethanol;butanedioic acid is CCN(CC)C(C)(O)N(CC)CC.O=C(O)CCC(=O)O.
What is the InChIKey of 1,1-bis(diethylamino)ethanol;butanedioic acid?
The InChIKey is IFANUTFPDHTLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O.C4H6O4/c1-6-11(7-2)10(5,13)12(8-3)9-4;5-3(6)1-2-4(7)8/h13H,6-9H2,1-5H3;1-2H2,(H,5,6)(H,7,8).
What are the key properties of 1,1-bis(diethylamino)ethanol;butanedioic acid?
1,1-bis(diethylamino)ethanol;butanedioic acid has a molecular weight of 306.40 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(diethylamino)ethanol;butanedioic acid is sourced from PubChem (CID 175360043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).