2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine

C15H31NO2 — CID 79572805

IUPAC2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine
SMILESCCCCOCCOCCC1CCCC1NCC
InChIInChI=1S/C15H31NO2/c1-3-5-10-17-12-13-18-11-9-14-7-6-8-15(14)16-4-2/h14-16H,3-13H2,1-2H3
InChIKeyVRIXDKYRVRTTHK-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds11

About 2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine

2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine (PubChem CID 79572805) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine
PubChem CID79572805
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine
SMILESCCCCOCCOCCC1CCCC1NCC
InChIInChI=1S/C15H31NO2/c1-3-5-10-17-12-13-18-11-9-14-7-6-8-15(14)16-4-2/h14-16H,3-13H2,1-2H3
InChIKeyVRIXDKYRVRTTHK-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]cyclopentan-1-amine
CID 103177135
2-[2-(2-propoxyethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573655
N-ethyl-2-octylcyclopentan-1-amine
CID 63399748
trans-(1R,2S)-N-ethyl-2-propylcyclopentan-1-amine
CID 11665449
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
2-[2-(2-cyclobutylethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 106200997
2-(2-butan-2-yloxyethyl)-N-ethylcyclopentan-1-amine
CID 79572814
2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine
CID 63403341
2-[2-[bis(2-methoxyethyl)amino]ethyl]-N-ethylcyclopentan-1-amine
CID 79565195
2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65180373
N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine
CID 79573640
2-(2-heptoxyethyl)cyclopentan-1-ol
CID 79563672

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine (CID 79572805) is 2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine is CCCCOCCOCCC1CCCC1NCC.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine?
The InChIKey is VRIXDKYRVRTTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-5-10-17-12-13-18-11-9-14-7-6-8-15(14)16-4-2/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine?
2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 79572805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).