3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine

C19H41NO2 — CID 22091458

IUPAC3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine
SMILESCCCCCCCCCCCOCCNCCCOC(C)C
InChIInChI=1S/C19H41NO2/c1-4-5-6-7-8-9-10-11-12-16-21-18-15-20-14-13-17-22-19(2)3/h19-20H,4-18H2,1-3H3
InChIKeyZOFJLVQAWMANRU-UHFFFAOYSA-N
MW315.54 g/mol
LogP4.94
Rot. Bonds18

About 3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine

3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine (PubChem CID 22091458) has the molecular formula C19H41NO2 and a molecular weight of 315.54 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine
PubChem CID22091458
Molecular FormulaC19H41NO2
Molecular Weight315.54 g/mol
Exact Mass315.31
IUPAC Name3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine
SMILESCCCCCCCCCCCOCCNCCCOC(C)C
InChIInChI=1S/C19H41NO2/c1-4-5-6-7-8-9-10-11-12-16-21-18-15-20-14-13-17-22-19(2)3/h19-20H,4-18H2,1-3H3
InChIKeyZOFJLVQAWMANRU-UHFFFAOYSA-N
XLogP4.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.54
LogP ≤ 54.94
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-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine
CID 55088632
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
3-hexoxy-N-propylpropan-1-amine
CID 62456253
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
3-pentoxy-N-propylpropan-1-amine
CID 62451352

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine (CID 22091458) is 3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine is CCCCCCCCCCCOCCNCCCOC(C)C.
What is the InChIKey of 3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine?
The InChIKey is ZOFJLVQAWMANRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO2/c1-4-5-6-7-8-9-10-11-12-16-21-18-15-20-14-13-17-22-19(2)3/h19-20H,4-18H2,1-3H3.
What are the key properties of 3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine?
3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine has a molecular weight of 315.54 g/mol, XLogP of 4.94, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine is sourced from PubChem (CID 22091458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).