1,1-dimethoxy-N-(methoxymethyl)propan-2-amine

C7H17NO3 — CID 91575191

IUPAC1,1-dimethoxy-N-(methoxymethyl)propan-2-amine
SMILESCOCNC(C)C(OC)OC
InChIInChI=1S/C7H17NO3/c1-6(8-5-9-2)7(10-3)11-4/h6-8H,5H2,1-4H3
InChIKeyYMUWGWTXFRMULA-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.19
Rot. Bonds6

About 1,1-dimethoxy-N-(methoxymethyl)propan-2-amine

1,1-dimethoxy-N-(methoxymethyl)propan-2-amine (PubChem CID 91575191) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,1-dimethoxy-N-(methoxymethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-(methoxymethyl)propan-2-amine
PubChem CID91575191
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name1,1-dimethoxy-N-(methoxymethyl)propan-2-amine
SMILESCOCNC(C)C(OC)OC
InChIInChI=1S/C7H17NO3/c1-6(8-5-9-2)7(10-3)11-4/h6-8H,5H2,1-4H3
InChIKeyYMUWGWTXFRMULA-UHFFFAOYSA-N
XLogP0.19
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
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-(methoxymethyl)-3-methylpentan-2-amine
CID 143368694
1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104759381
N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine
CID 83142750
(2S)-1,1-dimethoxy-N-methylpropan-2-amine
CID 11571861
N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 106675441
N,1,1-trimethoxypropan-2-amine
CID 82706992
(2S)-2-(1,1-dimethoxypropan-2-ylamino)-3-methylbutan-1-ol
CID 79254598
1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79707407
5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
CID 106158376
[1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol
CID 115454495
2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol
CID 106309355
5-(1,1-dimethoxypropan-2-ylamino)pentanamide
CID 106234795

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-(methoxymethyl)propan-2-amine?
The IUPAC name of 1,1-dimethoxy-N-(methoxymethyl)propan-2-amine (CID 91575191) is 1,1-dimethoxy-N-(methoxymethyl)propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-(methoxymethyl)propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-(methoxymethyl)propan-2-amine is COCNC(C)C(OC)OC.
What is the InChIKey of 1,1-dimethoxy-N-(methoxymethyl)propan-2-amine?
The InChIKey is YMUWGWTXFRMULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-6(8-5-9-2)7(10-3)11-4/h6-8H,5H2,1-4H3.
What are the key properties of 1,1-dimethoxy-N-(methoxymethyl)propan-2-amine?
1,1-dimethoxy-N-(methoxymethyl)propan-2-amine has a molecular weight of 163.22 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-(methoxymethyl)propan-2-amine is sourced from PubChem (CID 91575191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).