ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide

C13H30N2O3 — CID 156860349

IUPACethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide
SMILESCC.CC(C)NCCOCCOCCN(C)C=O
InChIInChI=1S/C11H24N2O3.C2H6/c1-11(2)12-4-6-15-8-9-16-7-5-13(3)10-14;1-2/h10-12H,4-9H2,1-3H3;1-2H3
InChIKeyVNSHXPQCPKUPBD-UHFFFAOYSA-N
MW262.39 g/mol
LogP1.13
Rot. Bonds11

About ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide

ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide (PubChem CID 156860349) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide.

Molecular Properties

Compound Nameethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide
PubChem CID156860349
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Nameethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide
SMILESCC.CC(C)NCCOCCOCCN(C)C=O
InChIInChI=1S/C11H24N2O3.C2H6/c1-11(2)12-4-6-15-8-9-16-7-5-13(3)10-14;1-2/h10-12H,4-9H2,1-3H3;1-2H3
InChIKeyVNSHXPQCPKUPBD-UHFFFAOYSA-N
XLogP1.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(propan-2-ylamino)ethyl]formamide
CID 134385514
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
ethane;2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetaldehyde
CID 171646622
N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylformamide
CID 163400129
N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane
CID 155751635
N,2-dimethyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine;methane
CID 167553463
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]cyclopropanamine
CID 102740741
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide?
The IUPAC name of ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide (CID 156860349) is ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide.
What is the SMILES notation for ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide?
The canonical SMILES for ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide is CC.CC(C)NCCOCCOCCN(C)C=O.
What is the InChIKey of ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide?
The InChIKey is VNSHXPQCPKUPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3.C2H6/c1-11(2)12-4-6-15-8-9-16-7-5-13(3)10-14;1-2/h10-12H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide?
ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide has a molecular weight of 262.39 g/mol, XLogP of 1.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide is sourced from PubChem (CID 156860349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).