3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine

C13H29NO3 — CID 114228672

IUPAC3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(COCCCOC)C(C)(C)OC
InChIInChI=1S/C13H29NO3/c1-6-8-14-12(13(2,3)16-5)11-17-10-7-9-15-4/h12,14H,6-11H2,1-5H3
InChIKeyDSSBIZKBIOZVFF-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.83
Rot. Bonds11

About 3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine

3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine (PubChem CID 114228672) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine
PubChem CID114228672
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(COCCCOC)C(C)(C)OC
InChIInChI=1S/C13H29NO3/c1-6-8-14-12(13(2,3)16-5)11-17-10-7-9-15-4/h12,14H,6-11H2,1-5H3
InChIKeyDSSBIZKBIOZVFF-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-N-(1-methoxypropan-2-yl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 114228461
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198161
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79196998
7,7,7-trifluoro-2-methoxy-2-methyl-N-propylheptan-3-amine
CID 113327134
ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate
CID 103180054
2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
CID 79198397
2-methoxy-2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79198392
N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine
CID 114228714
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine (CID 114228672) is 3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine is CCCNC(COCCCOC)C(C)(C)OC.
What is the InChIKey of 3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine?
The InChIKey is DSSBIZKBIOZVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-6-8-14-12(13(2,3)16-5)11-17-10-7-9-15-4/h12,14H,6-11H2,1-5H3.
What are the key properties of 3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine?
3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 1.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methoxypropoxy)-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 114228672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).