ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol

C10H25NO3 — CID 145060471

IUPACethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol
SMILESCC.COCCN(C)CCC(C)(O)O
InChIInChI=1S/C8H19NO3.C2H6/c1-8(10,11)4-5-9(2)6-7-12-3;1-2/h10-11H,4-7H2,1-3H3;1-2H3
InChIKeyDARXZYUXMFZKHO-UHFFFAOYSA-N
MW207.31 g/mol
LogP0.68
Rot. Bonds6

About ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol

ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol (PubChem CID 145060471) has the molecular formula C10H25NO3 and a molecular weight of 207.31 g/mol. Its IUPAC name is ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol.

Molecular Properties

Compound Nameethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol
PubChem CID145060471
Molecular FormulaC10H25NO3
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Nameethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol
SMILESCC.COCCN(C)CCC(C)(O)O
InChIInChI=1S/C8H19NO3.C2H6/c1-8(10,11)4-5-9(2)6-7-12-3;1-2/h10-11H,4-7H2,1-3H3;1-2H3
InChIKeyDARXZYUXMFZKHO-UHFFFAOYSA-N
XLogP0.68
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine
CID 142009573
1-[2-methoxyethyl(methyl)amino]-2-methylpropan-2-ol
CID 61427444
ethane;N-ethyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 143417410
3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
CID 106811269
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559
N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418
N-tert-butyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 61427619
5-[2-methoxyethyl(methyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64825401
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-ol
CID 66452834
4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 66453162
ethene;N-(2-methoxyethyl)-N-methylpropan-1-amine
CID 143338989

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol?
The IUPAC name of ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol (CID 145060471) is ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol.
What is the SMILES notation for ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol?
The canonical SMILES for ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol is CC.COCCN(C)CCC(C)(O)O.
What is the InChIKey of ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol?
The InChIKey is DARXZYUXMFZKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3.C2H6/c1-8(10,11)4-5-9(2)6-7-12-3;1-2/h10-11H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol?
ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol has a molecular weight of 207.31 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol is sourced from PubChem (CID 145060471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).