ethane;3-[2-(methylamino)ethoxy]propan-1-amine

C8H22N2O — CID 170614807

IUPACethane;3-[2-(methylamino)ethoxy]propan-1-amine
SMILESCC.CNCCOCCCN
InChIInChI=1S/C6H16N2O.C2H6/c1-8-4-6-9-5-2-3-7;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeySXUSVVQOGANIDG-UHFFFAOYSA-N
MW162.28 g/mol
LogP0.60
Rot. Bonds6

About ethane;3-[2-(methylamino)ethoxy]propan-1-amine

ethane;3-[2-(methylamino)ethoxy]propan-1-amine (PubChem CID 170614807) has the molecular formula C8H22N2O and a molecular weight of 162.28 g/mol. Its IUPAC name is ethane;3-[2-(methylamino)ethoxy]propan-1-amine.

Molecular Properties

Compound Nameethane;3-[2-(methylamino)ethoxy]propan-1-amine
PubChem CID170614807
Molecular FormulaC8H22N2O
Molecular Weight162.28 g/mol
Exact Mass162.17
IUPAC Nameethane;3-[2-(methylamino)ethoxy]propan-1-amine
SMILESCC.CNCCOCCCN
InChIInChI=1S/C6H16N2O.C2H6/c1-8-4-6-9-5-2-3-7;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeySXUSVVQOGANIDG-UHFFFAOYSA-N
XLogP0.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
CID 166139470
2-decoxy-N-methylethanamine
CID 62337581
N-methyl-2-octadecoxyethanamine
CID 175550654
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 155739307
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(methylamino)ethoxy]propan-1-amine?
The IUPAC name of ethane;3-[2-(methylamino)ethoxy]propan-1-amine (CID 170614807) is ethane;3-[2-(methylamino)ethoxy]propan-1-amine.
What is the SMILES notation for ethane;3-[2-(methylamino)ethoxy]propan-1-amine?
The canonical SMILES for ethane;3-[2-(methylamino)ethoxy]propan-1-amine is CC.CNCCOCCCN.
What is the InChIKey of ethane;3-[2-(methylamino)ethoxy]propan-1-amine?
The InChIKey is SXUSVVQOGANIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.C2H6/c1-8-4-6-9-5-2-3-7;1-2/h8H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;3-[2-(methylamino)ethoxy]propan-1-amine?
ethane;3-[2-(methylamino)ethoxy]propan-1-amine has a molecular weight of 162.28 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(methylamino)ethoxy]propan-1-amine is sourced from PubChem (CID 170614807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).