2-butoxy-1-cyclopentyl-N-ethylethanamine

C13H27NO — CID 104749090

IUPAC2-butoxy-1-cyclopentyl-N-ethylethanamine
SMILESCCCCOCC(NCC)C1CCCC1
InChIInChI=1S/C13H27NO/c1-3-5-10-15-11-13(14-4-2)12-8-6-7-9-12/h12-14H,3-11H2,1-2H3
InChIKeyRAUPRHXHKOSWBX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds8

About 2-butoxy-1-cyclopentyl-N-ethylethanamine

2-butoxy-1-cyclopentyl-N-ethylethanamine (PubChem CID 104749090) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-butoxy-1-cyclopentyl-N-ethylethanamine.

Molecular Properties

Compound Name2-butoxy-1-cyclopentyl-N-ethylethanamine
PubChem CID104749090
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-butoxy-1-cyclopentyl-N-ethylethanamine
SMILESCCCCOCC(NCC)C1CCCC1
InChIInChI=1S/C13H27NO/c1-3-5-10-15-11-13(14-4-2)12-8-6-7-9-12/h12-14H,3-11H2,1-2H3
InChIKeyRAUPRHXHKOSWBX-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
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

3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447381
1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
1-cyclohexyl-N-methyl-2-octoxyethanamine
CID 104748974
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine
CID 79573964
N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 104749456
1-cyclopentyl-N-ethyl-2-propan-2-yloxyethanamine
CID 79574827
N-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757
1-cyclopropyl-N-methyl-2-pentoxyethanamine
CID 63908778
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-cyclopentyl-N-ethylethanamine?
The IUPAC name of 2-butoxy-1-cyclopentyl-N-ethylethanamine (CID 104749090) is 2-butoxy-1-cyclopentyl-N-ethylethanamine.
What is the SMILES notation for 2-butoxy-1-cyclopentyl-N-ethylethanamine?
The canonical SMILES for 2-butoxy-1-cyclopentyl-N-ethylethanamine is CCCCOCC(NCC)C1CCCC1.
What is the InChIKey of 2-butoxy-1-cyclopentyl-N-ethylethanamine?
The InChIKey is RAUPRHXHKOSWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-10-15-11-13(14-4-2)12-8-6-7-9-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-butoxy-1-cyclopentyl-N-ethylethanamine?
2-butoxy-1-cyclopentyl-N-ethylethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-cyclopentyl-N-ethylethanamine is sourced from PubChem (CID 104749090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).