1,1-diethoxy-N-methylundecan-2-amine

C16H35NO2 — CID 79495971

IUPAC1,1-diethoxy-N-methylundecan-2-amine
SMILESCCCCCCCCCC(NC)C(OCC)OCC
InChIInChI=1S/C16H35NO2/c1-5-8-9-10-11-12-13-14-15(17-4)16(18-6-2)19-7-3/h15-17H,5-14H2,1-4H3
InChIKeyTWMDBQARCUTCAO-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.11
Rot. Bonds14

About 1,1-diethoxy-N-methylundecan-2-amine

1,1-diethoxy-N-methylundecan-2-amine (PubChem CID 79495971) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 1,1-diethoxy-N-methylundecan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-N-methylundecan-2-amine
PubChem CID79495971
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name1,1-diethoxy-N-methylundecan-2-amine
SMILESCCCCCCCCCC(NC)C(OCC)OCC
InChIInChI=1S/C16H35NO2/c1-5-8-9-10-11-12-13-14-15(17-4)16(18-6-2)19-7-3/h15-17H,5-14H2,1-4H3
InChIKeyTWMDBQARCUTCAO-UHFFFAOYSA-N
XLogP4.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.11
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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Related Compounds

4-ethoxy-N-methylpentadecan-5-amine
CID 116717810
1,1-diethoxy-5-methoxy-N-methylpentan-2-amine
CID 114856424
3-ethyl-N-methylnonan-4-amine
CID 115837459
9-ethoxyoctadecane
CID 87148376
3-(methylamino)octan-2-ol
CID 166770320
4-methoxy-N-methyldecan-5-amine
CID 116718740
2-ethoxy-N-ethylundecan-3-amine
CID 64535007
2-ethoxytridecane
CID 54143367
N,2-dimethyl-1-methylsulfanyltridecan-3-amine
CID 114221941
2-ethoxy-N-propylnonan-3-amine
CID 64532611
2-ethoxy-N-methylhexan-3-amine
CID 64534795
4-ethoxydodecan-5-ylhydrazine
CID 105271332

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-N-methylundecan-2-amine?
The IUPAC name of 1,1-diethoxy-N-methylundecan-2-amine (CID 79495971) is 1,1-diethoxy-N-methylundecan-2-amine.
What is the SMILES notation for 1,1-diethoxy-N-methylundecan-2-amine?
The canonical SMILES for 1,1-diethoxy-N-methylundecan-2-amine is CCCCCCCCCC(NC)C(OCC)OCC.
What is the InChIKey of 1,1-diethoxy-N-methylundecan-2-amine?
The InChIKey is TWMDBQARCUTCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-5-8-9-10-11-12-13-14-15(17-4)16(18-6-2)19-7-3/h15-17H,5-14H2,1-4H3.
What are the key properties of 1,1-diethoxy-N-methylundecan-2-amine?
1,1-diethoxy-N-methylundecan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.11, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-N-methylundecan-2-amine is sourced from PubChem (CID 79495971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).