3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine

C12H28N2O3 — CID 19915422

IUPAC3-[1-[3-(3-methoxypropylamino)propoxy]ethoxy]propan-1-amine
SMILESCC(OCCCN)OCCCNCCCOC
InChIInChI=1S/C12H28N2O3/c1-12(16-10-3-6-13)17-11-5-8-14-7-4-9-15-2/h12,14H,3-11,13H2,1-2H3
InChIKeyUKKLJMWHPQEZIA-UHFFFAOYSA-N
MW248.36 g/mol
LogP0.00
Rot. Bonds13

About 3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine

3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine (PubChem CID 19915422) has the molecular formula C12H28N2O3 and a molecular weight of 248.36 g/mol. Its IUPAC name is 3-[1-[3-(3-methoxypropylamino)propoxy]ethoxy]propan-1-amine.

Molecular Properties

Compound Name3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine
PubChem CID19915422
Molecular FormulaC12H28N2O3
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC Name3-[1-[3-(3-methoxypropylamino)propoxy]ethoxy]propan-1-amine
SMILESCC(OCCCN)OCCCNCCCOC
InChIInChI=1S/C12H28N2O3/c1-12(16-10-3-6-13)17-11-5-8-14-7-4-9-15-2/h12,14H,3-11,13H2,1-2H3
InChIKeyUKKLJMWHPQEZIA-UHFFFAOYSA-N
XLogP0.00
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity148

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 50.00
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

4,4-Diethoxy-N-methylbutan-1-amine
CID 13994547
(3,3-Diethoxypropyl)(ethyl)amine
CID 79006753
Bis(3-aminopropoxy)ethane
CID 18945828
N-(2,2-Diethoxyethyl)-3,3-diethoxy-1-propanamine
CID 377650
1-fluoro-N-[1-[1-[1-(1-fluorobutylamino)ethoxy]ethoxy]ethyl]butan-1-amine
CID 89600697
N-(2,2-dimethoxyethyl)-3-methoxypropan-1-amine
CID 58168524
3-Methylaminobutanal diethylacetal
CID 15323312
(4,4-Diethoxybutyl)(ethyl)amine
CID 129322528
N-(3-aminopropyl)-4-aminobutyraldehyde diethylacetal
CID 129711771
N-(2,2-dimethyl-3,3-dimethoxypropan-1-yl)-N-ethylamine
CID 129767925
N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine
CID 81094042
3,3-diethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 81095212

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine?
The IUPAC name of 3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine (CID 19915422) is 3-[1-[3-(3-methoxypropylamino)propoxy]ethoxy]propan-1-amine.
What is the SMILES notation for 3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine?
The canonical SMILES for 3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine is CC(OCCCN)OCCCNCCCOC.
What is the InChIKey of 3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine?
The InChIKey is UKKLJMWHPQEZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-12(16-10-3-6-13)17-11-5-8-14-7-4-9-15-2/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine?
3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine has a molecular weight of 248.36 g/mol, XLogP of 0.00, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine is sourced from PubChem (CID 19915422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).