N-dodecyl-N-ethoxydodecan-1-amine

C26H55NO — CID 152741413

IUPACN-dodecyl-N-ethoxydodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)OCC
InChIInChI=1S/C26H55NO/c1-4-7-9-11-13-15-17-19-21-23-25-27(28-6-3)26-24-22-20-18-16-14-12-10-8-5-2/h4-26H2,1-3H3
InChIKeyZZROEGVDCOTVSX-UHFFFAOYSA-N
MW397.73 g/mol
LogP9.08
Rot. Bonds24

About N-dodecyl-N-ethoxydodecan-1-amine

N-dodecyl-N-ethoxydodecan-1-amine (PubChem CID 152741413) has the molecular formula C26H55NO and a molecular weight of 397.73 g/mol. Its IUPAC name is N-dodecyl-N-ethoxydodecan-1-amine.

Molecular Properties

Compound NameN-dodecyl-N-ethoxydodecan-1-amine
PubChem CID152741413
Molecular FormulaC26H55NO
Molecular Weight397.73 g/mol
Exact Mass397.43
IUPAC NameN-dodecyl-N-ethoxydodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)OCC
InChIInChI=1S/C26H55NO/c1-4-7-9-11-13-15-17-19-21-23-25-27(28-6-3)26-24-22-20-18-16-14-12-10-8-5-2/h4-26H2,1-3H3
InChIKeyZZROEGVDCOTVSX-UHFFFAOYSA-N
XLogP9.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.73
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-ethoxydodecan-1-amine
CID 150955384
N-butyl-N-ethoxypentan-1-amine
CID 174575432
N-octadecyl-N-propoxyoctadecan-1-amine
CID 22019862
N-ethoxy-N-methyloctan-1-amine;hydrochloride
CID 174762687
decane;ruthenium
CID 160818595
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-ethoxydodecan-1-amine?
The IUPAC name of N-dodecyl-N-ethoxydodecan-1-amine (CID 152741413) is N-dodecyl-N-ethoxydodecan-1-amine.
What is the SMILES notation for N-dodecyl-N-ethoxydodecan-1-amine?
The canonical SMILES for N-dodecyl-N-ethoxydodecan-1-amine is CCCCCCCCCCCCN(CCCCCCCCCCCC)OCC.
What is the InChIKey of N-dodecyl-N-ethoxydodecan-1-amine?
The InChIKey is ZZROEGVDCOTVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO/c1-4-7-9-11-13-15-17-19-21-23-25-27(28-6-3)26-24-22-20-18-16-14-12-10-8-5-2/h4-26H2,1-3H3.
What are the key properties of N-dodecyl-N-ethoxydodecan-1-amine?
N-dodecyl-N-ethoxydodecan-1-amine has a molecular weight of 397.73 g/mol, XLogP of 9.08, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-ethoxydodecan-1-amine is sourced from PubChem (CID 152741413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).