3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine

C10H23NO3 — CID 115486739

IUPAC3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine
SMILESCOC(COCCCNC(C)C)OC
InChIInChI=1S/C10H23NO3/c1-9(2)11-6-5-7-14-8-10(12-3)13-4/h9-11H,5-8H2,1-4H3
InChIKeyVBAWBLVJVZOPTP-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.01
Rot. Bonds9

About 3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine

3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 115486739) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine
PubChem CID115486739
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine
SMILESCOC(COCCCNC(C)C)OC
InChIInChI=1S/C10H23NO3/c1-9(2)11-6-5-7-14-8-10(12-3)13-4/h9-11H,5-8H2,1-4H3
InChIKeyVBAWBLVJVZOPTP-UHFFFAOYSA-N
XLogP1.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
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

3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine
CID 82929077
1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane
CID 103403802
methyl 3-[3-(propan-2-ylamino)propoxy]propanoate
CID 106939689
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
O-[3-(propan-2-ylamino)propyl]hydroxylamine
CID 143003444
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
2-methyl-1-[3-(propan-2-ylamino)propoxy]propan-2-ol
CID 106939709
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
1-[3-[3-(propan-2-ylamino)propoxy]propylamino]propane-2-thiol
CID 167242562
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
1,1-dimethoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 14433926
2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate
CID 131726685

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine (CID 115486739) is 3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine is COC(COCCCNC(C)C)OC.
What is the InChIKey of 3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is VBAWBLVJVZOPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-9(2)11-6-5-7-14-8-10(12-3)13-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine?
3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 115486739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).