ethane;N-ethyl-2-methoxyethanamine

C9H25NO — CID 53486475

IUPACethane;N-ethyl-2-methoxyethanamine
SMILESCC.CC.CCNCCOC
InChIInChI=1S/C5H13NO.2C2H6/c1-3-6-4-5-7-2;2*1-2/h6H,3-5H2,1-2H3;2*1-2H3
InChIKeyIVGPNBMBQLOHES-UHFFFAOYSA-N
MW163.30 g/mol
LogP2.29
Rot. Bonds4

About ethane;N-ethyl-2-methoxyethanamine

ethane;N-ethyl-2-methoxyethanamine (PubChem CID 53486475) has the molecular formula C9H25NO and a molecular weight of 163.30 g/mol. Its IUPAC name is ethane;N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-2-methoxyethanamine
PubChem CID53486475
Molecular FormulaC9H25NO
Molecular Weight163.30 g/mol
Exact Mass163.19
IUPAC Nameethane;N-ethyl-2-methoxyethanamine
SMILESCC.CC.CCNCCOC
InChIInChI=1S/C5H13NO.2C2H6/c1-3-6-4-5-7-2;2*1-2/h6H,3-5H2,1-2H3;2*1-2H3
InChIKeyIVGPNBMBQLOHES-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 177329395
CID 177329395
ethane;O-[2-(ethylamino)ethyl]hydroxylamine
CID 172573292
N,N'-diethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 18965073
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
CID 59347744
CID 59347744
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
2-(ethylamino)ethyl hypofluorite
CID 87274777
ethane;2-methoxy-N-methylethanamine
CID 91504059
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-methoxyethanamine?
The IUPAC name of ethane;N-ethyl-2-methoxyethanamine (CID 53486475) is ethane;N-ethyl-2-methoxyethanamine.
What is the SMILES notation for ethane;N-ethyl-2-methoxyethanamine?
The canonical SMILES for ethane;N-ethyl-2-methoxyethanamine is CC.CC.CCNCCOC.
What is the InChIKey of ethane;N-ethyl-2-methoxyethanamine?
The InChIKey is IVGPNBMBQLOHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.2C2H6/c1-3-6-4-5-7-2;2*1-2/h6H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-2-methoxyethanamine?
ethane;N-ethyl-2-methoxyethanamine has a molecular weight of 163.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 53486475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).