ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine

C9H23NO2 — CID 142226149

IUPACethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCC.COCCNC(C)COC
InChIInChI=1S/C7H17NO2.C2H6/c1-7(6-10-3)8-4-5-9-2;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyPJCMBBCDBCOGOW-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.28
Rot. Bonds6

About ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine

ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine (PubChem CID 142226149) has the molecular formula C9H23NO2 and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound Nameethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
PubChem CID142226149
Molecular FormulaC9H23NO2
Molecular Weight177.29 g/mol
Exact Mass177.17
IUPAC Nameethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCC.COCCNC(C)COC
InChIInChI=1S/C7H17NO2.C2H6/c1-7(6-10-3)8-4-5-9-2;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyPJCMBBCDBCOGOW-UHFFFAOYSA-N
XLogP1.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.28
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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Related Compounds

1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
N-(2-methoxyethyl)butan-2-amine
CID 43190188
6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine
CID 107844567
1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
CID 62577802
1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106450224
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
N-(1-methoxypropan-2-yl)nonan-1-amine
CID 43129186
N-(1-methoxypropan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62574091
1-methoxy-N-(2-octoxyethyl)propan-2-amine
CID 62599716
N-(2-cyclopentyloxyethyl)-1-methoxypropan-2-amine
CID 62567439

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine (CID 142226149) is ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine is CC.COCCNC(C)COC.
What is the InChIKey of ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is PJCMBBCDBCOGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2.C2H6/c1-7(6-10-3)8-4-5-9-2;1-2/h7-8H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine?
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 142226149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).