N-(3,3,3-triethoxypropyl)undecan-1-amine

C20H43NO3 — CID 159840900

IUPACN-(3,3,3-triethoxypropyl)undecan-1-amine
SMILESCCCCCCCCCCCNCCC(OCC)(OCC)OCC
InChIInChI=1S/C20H43NO3/c1-5-9-10-11-12-13-14-15-16-18-21-19-17-20(22-6-2,23-7-3)24-8-4/h21H,5-19H2,1-4H3
InChIKeyAWCDZNYFOBRGFC-UHFFFAOYSA-N
MW345.57 g/mol
LogP5.26
Rot. Bonds19

About N-(3,3,3-triethoxypropyl)undecan-1-amine

N-(3,3,3-triethoxypropyl)undecan-1-amine (PubChem CID 159840900) has the molecular formula C20H43NO3 and a molecular weight of 345.57 g/mol. Its IUPAC name is N-(3,3,3-triethoxypropyl)undecan-1-amine.

Molecular Properties

Compound NameN-(3,3,3-triethoxypropyl)undecan-1-amine
PubChem CID159840900
Molecular FormulaC20H43NO3
Molecular Weight345.57 g/mol
Exact Mass345.32
IUPAC NameN-(3,3,3-triethoxypropyl)undecan-1-amine
SMILESCCCCCCCCCCCNCCC(OCC)(OCC)OCC
InChIInChI=1S/C20H43NO3/c1-5-9-10-11-12-13-14-15-16-18-21-19-17-20(22-6-2,23-7-3)24-8-4/h21H,5-19H2,1-4H3
InChIKeyAWCDZNYFOBRGFC-UHFFFAOYSA-N
XLogP5.26
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186
ruthenium;1,1,1-triethoxydecane
CID 157324278
4-(13,13,13-triethoxytridecylamino)butan-1-ol
CID 151260398
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-butyltetradecan-1-amine
CID 3548872
methane;N-octyloctan-1-amine
CID 87294693

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-triethoxypropyl)undecan-1-amine?
The IUPAC name of N-(3,3,3-triethoxypropyl)undecan-1-amine (CID 159840900) is N-(3,3,3-triethoxypropyl)undecan-1-amine.
What is the SMILES notation for N-(3,3,3-triethoxypropyl)undecan-1-amine?
The canonical SMILES for N-(3,3,3-triethoxypropyl)undecan-1-amine is CCCCCCCCCCCNCCC(OCC)(OCC)OCC.
What is the InChIKey of N-(3,3,3-triethoxypropyl)undecan-1-amine?
The InChIKey is AWCDZNYFOBRGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO3/c1-5-9-10-11-12-13-14-15-16-18-21-19-17-20(22-6-2,23-7-3)24-8-4/h21H,5-19H2,1-4H3.
What are the key properties of N-(3,3,3-triethoxypropyl)undecan-1-amine?
N-(3,3,3-triethoxypropyl)undecan-1-amine has a molecular weight of 345.57 g/mol, XLogP of 5.26, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-triethoxypropyl)undecan-1-amine is sourced from PubChem (CID 159840900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).