2-(1-butoxycyclobutyl)-N-ethylethanamine

C12H25NO — CID 103273334

IUPAC2-(1-butoxycyclobutyl)-N-ethylethanamine
SMILESCCCCOC1(CCNCC)CCC1
InChIInChI=1S/C12H25NO/c1-3-5-11-14-12(7-6-8-12)9-10-13-4-2/h13H,3-11H2,1-2H3
InChIKeyYUTYSWANDKNGQM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds8

About 2-(1-butoxycyclobutyl)-N-ethylethanamine

2-(1-butoxycyclobutyl)-N-ethylethanamine (PubChem CID 103273334) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(1-butoxycyclobutyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(1-butoxycyclobutyl)-N-ethylethanamine
PubChem CID103273334
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(1-butoxycyclobutyl)-N-ethylethanamine
SMILESCCCCOC1(CCNCC)CCC1
InChIInChI=1S/C12H25NO/c1-3-5-11-14-12(7-6-8-12)9-10-13-4-2/h13H,3-11H2,1-2H3
InChIKeyYUTYSWANDKNGQM-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.73
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

2-[1-(2-ethoxyethoxy)cyclobutyl]-N-ethylethanamine
CID 103273067
N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine
CID 103274564
N-[2-(1-but-3-enoxycyclobutyl)ethyl]propan-1-amine
CID 103272997
2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine
CID 103273327
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine
CID 103274392
2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273231
N-[(1-pentoxycycloheptyl)methyl]propan-1-amine
CID 55192110
2-(1-butylcyclohexyl)oxyethanol
CID 141443890
1-heptoxy-1-(iodomethyl)cycloheptane
CID 114773223
2-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-N-methylethanamine
CID 103273658
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297

Frequently Asked Questions

What is the IUPAC name of 2-(1-butoxycyclobutyl)-N-ethylethanamine?
The IUPAC name of 2-(1-butoxycyclobutyl)-N-ethylethanamine (CID 103273334) is 2-(1-butoxycyclobutyl)-N-ethylethanamine.
What is the SMILES notation for 2-(1-butoxycyclobutyl)-N-ethylethanamine?
The canonical SMILES for 2-(1-butoxycyclobutyl)-N-ethylethanamine is CCCCOC1(CCNCC)CCC1.
What is the InChIKey of 2-(1-butoxycyclobutyl)-N-ethylethanamine?
The InChIKey is YUTYSWANDKNGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-11-14-12(7-6-8-12)9-10-13-4-2/h13H,3-11H2,1-2H3.
What are the key properties of 2-(1-butoxycyclobutyl)-N-ethylethanamine?
2-(1-butoxycyclobutyl)-N-ethylethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxycyclobutyl)-N-ethylethanamine is sourced from PubChem (CID 103273334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).