ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide

C11H28N2O — CID 143536521

IUPACethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide
SMILESCC.CC.CCN(C)CCN(C)C=O
InChIInChI=1S/C7H16N2O.2C2H6/c1-4-8(2)5-6-9(3)7-10;2*1-2/h7H,4-6H2,1-3H3;2*1-2H3
InChIKeyGXVGDIURXXYZHI-UHFFFAOYSA-N
MW204.36 g/mol
LogP2.08
Rot. Bonds5

About ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide

ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide (PubChem CID 143536521) has the molecular formula C11H28N2O and a molecular weight of 204.36 g/mol. Its IUPAC name is ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide.

Molecular Properties

Compound Nameethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide
PubChem CID143536521
Molecular FormulaC11H28N2O
Molecular Weight204.36 g/mol
Exact Mass204.22
IUPAC Nameethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide
SMILESCC.CC.CCN(C)CCN(C)C=O
InChIInChI=1S/C7H16N2O.2C2H6/c1-4-8(2)5-6-9(3)7-10;2*1-2/h7H,4-6H2,1-3H3;2*1-2H3
InChIKeyGXVGDIURXXYZHI-UHFFFAOYSA-N
XLogP2.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dipropylamino)ethyl]-N-methylformamide
CID 123500071
2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde
CID 174170079
N-ethyl-N-methylformamide;propane
CID 144948396
N-methyl-N-pentylformamide
CID 22754748
N-methyl-N-(2-sulfanylethyl)formamide
CID 139923648
N-methyl-N-tetradecylformamide
CID 10422507
ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid
CID 143432854
ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176935759
2-[dimethylamino(methyl)amino]-N-ethyl-N-methylethanamine
CID 167248768
ethane;N-ethyl-N-methylethanamine;propane
CID 170620045
ethane;N-ethyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 143417410
N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142953317

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide?
The IUPAC name of ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide (CID 143536521) is ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide.
What is the SMILES notation for ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide?
The canonical SMILES for ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide is CC.CC.CCN(C)CCN(C)C=O.
What is the InChIKey of ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide?
The InChIKey is GXVGDIURXXYZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.2C2H6/c1-4-8(2)5-6-9(3)7-10;2*1-2/h7H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide?
ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide has a molecular weight of 204.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide is sourced from PubChem (CID 143536521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).