5-(2-butoxyethoxy)-N-ethylpentan-1-amine

C13H29NO2 — CID 62456764

IUPAC5-(2-butoxyethoxy)-N-ethylpentan-1-amine
SMILESCCCCOCCOCCCCCNCC
InChIInChI=1S/C13H29NO2/c1-3-5-10-15-12-13-16-11-8-6-7-9-14-4-2/h14H,3-13H2,1-2H3
InChIKeyNQXIGVWPFLKYQT-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.60
Rot. Bonds13

About 5-(2-butoxyethoxy)-N-ethylpentan-1-amine

5-(2-butoxyethoxy)-N-ethylpentan-1-amine (PubChem CID 62456764) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 5-(2-butoxyethoxy)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(2-butoxyethoxy)-N-ethylpentan-1-amine
PubChem CID62456764
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name5-(2-butoxyethoxy)-N-ethylpentan-1-amine
SMILESCCCCOCCOCCCCCNCC
InChIInChI=1S/C13H29NO2/c1-3-5-10-15-12-13-16-11-8-6-7-9-14-4-2/h14H,3-13H2,1-2H3
InChIKeyNQXIGVWPFLKYQT-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.60
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

3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
1,10-bis(2-butoxyethoxy)decane
CID 90257337
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
CID 112589971
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
5-pentoxy-N-propylpentan-1-amine
CID 62451179
4-[4-(ethylamino)butoxy]butan-1-amine
CID 163399899
5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine
CID 66227733
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine
CID 107320355
ethane;N-ethylhexan-1-amine
CID 143229911
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266

Frequently Asked Questions

What is the IUPAC name of 5-(2-butoxyethoxy)-N-ethylpentan-1-amine?
The IUPAC name of 5-(2-butoxyethoxy)-N-ethylpentan-1-amine (CID 62456764) is 5-(2-butoxyethoxy)-N-ethylpentan-1-amine.
What is the SMILES notation for 5-(2-butoxyethoxy)-N-ethylpentan-1-amine?
The canonical SMILES for 5-(2-butoxyethoxy)-N-ethylpentan-1-amine is CCCCOCCOCCCCCNCC.
What is the InChIKey of 5-(2-butoxyethoxy)-N-ethylpentan-1-amine?
The InChIKey is NQXIGVWPFLKYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-3-5-10-15-12-13-16-11-8-6-7-9-14-4-2/h14H,3-13H2,1-2H3.
What are the key properties of 5-(2-butoxyethoxy)-N-ethylpentan-1-amine?
5-(2-butoxyethoxy)-N-ethylpentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.60, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxyethoxy)-N-ethylpentan-1-amine is sourced from PubChem (CID 62456764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).