N-[2-(2-octoxyethoxy)ethyl]propan-2-amine

C15H33NO2 — CID 156795483

IUPACN-[2-(2-octoxyethoxy)ethyl]propan-2-amine
SMILESCCCCCCCCOCCOCCNC(C)C
InChIInChI=1S/C15H33NO2/c1-4-5-6-7-8-9-11-17-13-14-18-12-10-16-15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyVYUZRTXGZNFDOP-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.38
Rot. Bonds14

About N-[2-(2-octoxyethoxy)ethyl]propan-2-amine

N-[2-(2-octoxyethoxy)ethyl]propan-2-amine (PubChem CID 156795483) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N-[2-(2-octoxyethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-octoxyethoxy)ethyl]propan-2-amine
PubChem CID156795483
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN-[2-(2-octoxyethoxy)ethyl]propan-2-amine
SMILESCCCCCCCCOCCOCCNC(C)C
InChIInChI=1S/C15H33NO2/c1-4-5-6-7-8-9-11-17-13-14-18-12-10-16-15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyVYUZRTXGZNFDOP-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.38
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-(2-decoxyethyl)propan-2-amine
CID 63399572
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
1-methoxy-N-(2-octoxyethyl)propan-2-amine
CID 62599716
8-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]octane-2-thiol
CID 138728442
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-(2-decoxyethoxy)decane
CID 14009354
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-octoxyethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-octoxyethoxy)ethyl]propan-2-amine (CID 156795483) is N-[2-(2-octoxyethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-octoxyethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-octoxyethoxy)ethyl]propan-2-amine is CCCCCCCCOCCOCCNC(C)C.
What is the InChIKey of N-[2-(2-octoxyethoxy)ethyl]propan-2-amine?
The InChIKey is VYUZRTXGZNFDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-4-5-6-7-8-9-11-17-13-14-18-12-10-16-15(2)3/h15-16H,4-14H2,1-3H3.
What are the key properties of N-[2-(2-octoxyethoxy)ethyl]propan-2-amine?
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine has a molecular weight of 259.43 g/mol, XLogP of 3.38, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-octoxyethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 156795483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).