3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine

C14H27NO — CID 116759920

IUPAC3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine
SMILESC#CCCCC(NC)C(CC)(CC)OCC
InChIInChI=1S/C14H27NO/c1-6-10-11-12-13(15-5)14(7-2,8-3)16-9-4/h1,13,15H,7-12H2,2-5H3
InChIKeyMPALBRMXRJIEJK-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds9

About 3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine

3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine (PubChem CID 116759920) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine
PubChem CID116759920
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine
SMILESC#CCCCC(NC)C(CC)(CC)OCC
InChIInChI=1S/C14H27NO/c1-6-10-11-12-13(15-5)14(7-2,8-3)16-9-4/h1,13,15H,7-12H2,2-5H3
InChIKeyMPALBRMXRJIEJK-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-3-ethyl-N,8-dimethylnonan-4-amine
CID 116760023
N,3,3-trimethylnon-8-yn-4-amine
CID 105033729
3-ethoxy-3-ethyl-N-methylheptan-4-amine
CID 116759889
(3-ethoxy-3-ethyloct-7-yn-4-yl)hydrazine
CID 105275085
3-ethoxy-3-ethyloct-7-yn-4-ol
CID 116752445
3-ethoxy-3-ethyl-N-methyloct-6-yn-4-amine
CID 116760027
3-ethoxy-3-ethyl-N-methyl-1-propan-2-yloxypentan-2-amine
CID 116759938
5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine
CID 116759842
(3-ethoxy-3-methyloct-7-yn-4-yl)hydrazine
CID 105274762
N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine
CID 105179503
N,2,3-trimethylnon-8-yn-4-amine
CID 105033818
1,1,1-trifluoro-N-propylhept-6-yn-2-amine
CID 105033987

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine?
The IUPAC name of 3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine (CID 116759920) is 3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine.
What is the SMILES notation for 3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine?
The canonical SMILES for 3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine is C#CCCCC(NC)C(CC)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine?
The InChIKey is MPALBRMXRJIEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-10-11-12-13(15-5)14(7-2,8-3)16-9-4/h1,13,15H,7-12H2,2-5H3.
What are the key properties of 3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine?
3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-N-methylnon-8-yn-4-amine is sourced from PubChem (CID 116759920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).