N-(2,2-diethoxyethyl)propan-1-amine

C9H21NO2 — CID 13175518

IUPACN-(2,2-diethoxyethyl)propan-1-amine
SMILESCCCNCC(OCC)OCC
InChIInChI=1S/C9H21NO2/c1-4-7-10-8-9(11-5-2)12-6-3/h9-10H,4-8H2,1-3H3
InChIKeyWPKBVFTTZKQREB-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.39
Rot. Bonds8

About N-(2,2-diethoxyethyl)propan-1-amine

N-(2,2-diethoxyethyl)propan-1-amine (PubChem CID 13175518) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)propan-1-amine
PubChem CID13175518
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC NameN-(2,2-diethoxyethyl)propan-1-amine
SMILESCCCNCC(OCC)OCC
InChIInChI=1S/C9H21NO2/c1-4-7-10-8-9(11-5-2)12-6-3/h9-10H,4-8H2,1-3H3
InChIKeyWPKBVFTTZKQREB-UHFFFAOYSA-N
XLogP1.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)propan-1-amine?
The IUPAC name of N-(2,2-diethoxyethyl)propan-1-amine (CID 13175518) is N-(2,2-diethoxyethyl)propan-1-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)propan-1-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)propan-1-amine is CCCNCC(OCC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)propan-1-amine?
The InChIKey is WPKBVFTTZKQREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-7-10-8-9(11-5-2)12-6-3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)propan-1-amine?
N-(2,2-diethoxyethyl)propan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)propan-1-amine is sourced from PubChem (CID 13175518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).