N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine

C14H32N2O3 — CID 137398646

IUPACN-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine
SMILESCNCCCOCCOCCOCCCNC(C)C
InChIInChI=1S/C14H32N2O3/c1-14(2)16-7-5-9-18-11-13-19-12-10-17-8-4-6-15-3/h14-16H,4-13H2,1-3H3
InChIKeyKZLLXHMGQXWRSL-UHFFFAOYSA-N
MW276.42 g/mol
LogP1.03
Rot. Bonds15

About N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine

N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine (PubChem CID 137398646) has the molecular formula C14H32N2O3 and a molecular weight of 276.42 g/mol. Its IUPAC name is N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine
PubChem CID137398646
Molecular FormulaC14H32N2O3
Molecular Weight276.42 g/mol
Exact Mass276.24
IUPAC NameN-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine
SMILESCNCCCOCCOCCOCCCNC(C)C
InChIInChI=1S/C14H32N2O3/c1-14(2)16-7-5-9-18-11-13-19-12-10-17-8-4-6-15-3/h14-16H,4-13H2,1-3H3
InChIKeyKZLLXHMGQXWRSL-UHFFFAOYSA-N
XLogP1.03
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine?
The IUPAC name of N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine (CID 137398646) is N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine is CNCCCOCCOCCOCCCNC(C)C.
What is the InChIKey of N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine?
The InChIKey is KZLLXHMGQXWRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3/c1-14(2)16-7-5-9-18-11-13-19-12-10-17-8-4-6-15-3/h14-16H,4-13H2,1-3H3.
What are the key properties of N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine?
N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 1.03, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propan-1-amine is sourced from PubChem (CID 137398646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).