ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine

C11H25NO — CID 176920815

IUPACethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine
SMILESCC.CCOCCN(C)C1CCC1
InChIInChI=1S/C9H19NO.C2H6/c1-3-11-8-7-10(2)9-5-4-6-9;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeySKCQBTCCAVKNJE-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.53
Rot. Bonds5

About ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine

ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine (PubChem CID 176920815) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine.

Molecular Properties

Compound Nameethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine
PubChem CID176920815
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine
SMILESCC.CCOCCN(C)C1CCC1
InChIInChI=1S/C9H19NO.C2H6/c1-3-11-8-7-10(2)9-5-4-6-9;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeySKCQBTCCAVKNJE-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 81061768
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
[3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 81065074
N-[2-[cyclohexyl(methyl)amino]ethyl]-4-ethoxybutanamide
CID 86848639
cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 129428940
2-[2-[cyclopropyl(methyl)amino]ethoxy]acetic acid
CID 143874023
3-[2-ethoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 81061358
3-N-(2-ethoxyethyl)-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 81059535
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82953790
N-methyl-N-[2-[2-(propylamino)ethoxy]ethyl]cyclopropanamine
CID 102740758
N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]cyclopropanamine
CID 102740741

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine?
The IUPAC name of ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine (CID 176920815) is ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine.
What is the SMILES notation for ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine?
The canonical SMILES for ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine is CC.CCOCCN(C)C1CCC1.
What is the InChIKey of ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine?
The InChIKey is SKCQBTCCAVKNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-3-11-8-7-10(2)9-5-4-6-9;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine?
ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine has a molecular weight of 187.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine is sourced from PubChem (CID 176920815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).