2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol

C10H23NO4 — CID 106309355

IUPAC2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol
SMILESCOC(OC)C(C)NCCCOCCO
InChIInChI=1S/C10H23NO4/c1-9(10(13-2)14-3)11-5-4-7-15-8-6-12/h9-12H,4-8H2,1-3H3
InChIKeyDZLMJUDPWLPYKZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP-0.02
Rot. Bonds10

About 2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol

2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol (PubChem CID 106309355) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol
PubChem CID106309355
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Name2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol
SMILESCOC(OC)C(C)NCCCOCCO
InChIInChI=1S/C10H23NO4/c1-9(10(13-2)14-3)11-5-4-7-15-8-6-12/h9-12H,4-8H2,1-3H3
InChIKeyDZLMJUDPWLPYKZ-UHFFFAOYSA-N
XLogP-0.02
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
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

methyl 3-[3-(2-hydroxyethoxy)propylamino]-2-methylbutanoate
CID 106305528
5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
CID 106158376
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol
CID 28728055
5-(1,1-dimethoxypropan-2-ylamino)pentanamide
CID 106234795
1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104759381
3-(3-butoxypropylamino)butan-2-ol
CID 115687601
2-[3-(3-methylbutylamino)propoxy]ethanol
CID 103578781
N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
CID 114171795
ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
CID 106305458
2-[3-(2-hydroxyethoxy)propylamino]butanamide
CID 106309792
(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
CID 103410935
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol?
The IUPAC name of 2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol (CID 106309355) is 2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol.
What is the SMILES notation for 2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol?
The canonical SMILES for 2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol is COC(OC)C(C)NCCCOCCO.
What is the InChIKey of 2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol?
The InChIKey is DZLMJUDPWLPYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4/c1-9(10(13-2)14-3)11-5-4-7-15-8-6-12/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol?
2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol has a molecular weight of 221.30 g/mol, XLogP of -0.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol is sourced from PubChem (CID 106309355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).