2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine

C15H31NO — CID 107009714

IUPAC2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine
SMILESC=CCCCCCC(NCC)C(C)(C)OCC
InChIInChI=1S/C15H31NO/c1-6-9-10-11-12-13-14(16-7-2)15(4,5)17-8-3/h6,14,16H,1,7-13H2,2-5H3
InChIKeyKOGFPZWKNYZSPQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.92
Rot. Bonds11

About 2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine

2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine (PubChem CID 107009714) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine
PubChem CID107009714
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine
SMILESC=CCCCCCC(NCC)C(C)(C)OCC
InChIInChI=1S/C15H31NO/c1-6-9-10-11-12-13-14(16-7-2)15(4,5)17-8-3/h6,14,16H,1,7-13H2,2-5H3
InChIKeyKOGFPZWKNYZSPQ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-methyl-N-propyldec-9-en-3-amine
CID 107009419
3-ethoxy-N,3-diethyloct-7-en-4-amine
CID 116760221
(2S)-2-[(2-methylpropan-2-yl)oxymethylamino]non-8-enal
CID 143906639
N-ethyl-2-(4-fluorophenyl)-2-methyldec-9-en-3-amine
CID 107009149
1-ethoxy-N-ethylnon-8-en-2-amine
CID 107009273
12,12-diethoxydodec-1-ene
CID 146004846
11-(triethoxymethyl)nonadec-1-ene
CID 150184812
N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine
CID 79056072
(2-ethoxy-2-methyldodecan-3-yl)hydrazine
CID 105274061
N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine
CID 104987354
5-ethoxy-N-ethyl-5-methylhept-1-en-4-amine
CID 116758987
1,1,1-trifluoro-N-methylnon-8-en-2-amine
CID 107011900

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine?
The IUPAC name of 2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine (CID 107009714) is 2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine is C=CCCCCCC(NCC)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine?
The InChIKey is KOGFPZWKNYZSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-9-10-11-12-13-14(16-7-2)15(4,5)17-8-3/h6,14,16H,1,7-13H2,2-5H3.
What are the key properties of 2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine?
2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine has a molecular weight of 241.42 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-2-methyldec-9-en-3-amine is sourced from PubChem (CID 107009714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).