ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine

C11H26N2O — CID 178086469

IUPACethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine
SMILESCC.CNCCCC1COCCN1C
InChIInChI=1S/C9H20N2O.C2H6/c1-10-5-3-4-9-8-12-7-6-11(9)2;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyZQDDTGUWXHACES-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.34
Rot. Bonds4

About ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine

ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine (PubChem CID 178086469) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine
PubChem CID178086469
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine
SMILESCC.CNCCCC1COCCN1C
InChIInChI=1S/C9H20N2O.C2H6/c1-10-5-3-4-9-8-12-7-6-11(9)2;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyZQDDTGUWXHACES-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine?
The IUPAC name of ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine (CID 178086469) is ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine.
What is the SMILES notation for ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine?
The canonical SMILES for ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine is CC.CNCCCC1COCCN1C.
What is the InChIKey of ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine?
The InChIKey is ZQDDTGUWXHACES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C2H6/c1-10-5-3-4-9-8-12-7-6-11(9)2;1-2/h9-10H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine?
ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine has a molecular weight of 202.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine is sourced from PubChem (CID 178086469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).