N-ethoxy-N-methyloctan-1-amine;hydrochloride

C11H26ClNO — CID 174762687

IUPACN-ethoxy-N-methyloctan-1-amine;hydrochloride
SMILESCCCCCCCCN(C)OCC.Cl
InChIInChI=1S/C11H25NO.ClH/c1-4-6-7-8-9-10-11-12(3)13-5-2;/h4-11H2,1-3H3;1H
InChIKeyGWMOTRXNQDMOGV-UHFFFAOYSA-N
MW223.79 g/mol
LogP3.65
Rot. Bonds9

About N-ethoxy-N-methyloctan-1-amine;hydrochloride

N-ethoxy-N-methyloctan-1-amine;hydrochloride (PubChem CID 174762687) has the molecular formula C11H26ClNO and a molecular weight of 223.79 g/mol. Its IUPAC name is N-ethoxy-N-methyloctan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-ethoxy-N-methyloctan-1-amine;hydrochloride
PubChem CID174762687
Molecular FormulaC11H26ClNO
Molecular Weight223.79 g/mol
Exact Mass223.17
IUPAC NameN-ethoxy-N-methyloctan-1-amine;hydrochloride
SMILESCCCCCCCCN(C)OCC.Cl
InChIInChI=1S/C11H25NO.ClH/c1-4-6-7-8-9-10-11-12(3)13-5-2;/h4-11H2,1-3H3;1H
InChIKeyGWMOTRXNQDMOGV-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.79
LogP ≤ 53.65
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-[heptadecyl(methyl)amino]oxy-N-methylheptadecan-1-amine
CID 141068363
N-dodecyl-N-ethoxydodecan-1-amine
CID 152741413
N-methoxy-N-methylhexan-1-amine
CID 54431715
N-butyl-N-ethoxydodecan-1-amine
CID 150955384
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N-butyl-N-ethoxypentan-1-amine
CID 174575432
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dioctadecyloctadecan-1-amine;hydrochloride
CID 45050162

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-methyloctan-1-amine;hydrochloride?
The IUPAC name of N-ethoxy-N-methyloctan-1-amine;hydrochloride (CID 174762687) is N-ethoxy-N-methyloctan-1-amine;hydrochloride.
What is the SMILES notation for N-ethoxy-N-methyloctan-1-amine;hydrochloride?
The canonical SMILES for N-ethoxy-N-methyloctan-1-amine;hydrochloride is CCCCCCCCN(C)OCC.Cl.
What is the InChIKey of N-ethoxy-N-methyloctan-1-amine;hydrochloride?
The InChIKey is GWMOTRXNQDMOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO.ClH/c1-4-6-7-8-9-10-11-12(3)13-5-2;/h4-11H2,1-3H3;1H.
What are the key properties of N-ethoxy-N-methyloctan-1-amine;hydrochloride?
N-ethoxy-N-methyloctan-1-amine;hydrochloride has a molecular weight of 223.79 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-methyloctan-1-amine;hydrochloride is sourced from PubChem (CID 174762687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).