3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine

C15H29NO — CID 116725712

IUPAC3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
SMILESCC#CCCC(NCC)C(OCC)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-7-10-11-12-13(16-8-2)14(17-9-3)15(4,5)6/h13-14,16H,8-9,11-12H2,1-6H3
InChIKeyWNEJSCHHMDBFGO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds7

About 3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine

3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine (PubChem CID 116725712) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
PubChem CID116725712
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
SMILESCC#CCCC(NCC)C(OCC)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-7-10-11-12-13(16-8-2)14(17-9-3)15(4,5)6/h13-14,16H,8-9,11-12H2,1-6H3
InChIKeyWNEJSCHHMDBFGO-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
CID 116725818
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
N-ethyl-2,3-dimethylnon-7-yn-4-amine
CID 105037627
3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
CID 116725715
N,3-diethylnon-7-yn-4-amine
CID 105037214
1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725824
4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
CID 116725722
5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
CID 116725749
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine
CID 116725711
1,1-diethoxy-N-ethylhex-4-yn-2-amine
CID 79495885
N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine
CID 103029348

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine?
The IUPAC name of 3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine (CID 116725712) is 3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine is CC#CCCC(NCC)C(OCC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine?
The InChIKey is WNEJSCHHMDBFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-10-11-12-13(16-8-2)14(17-9-3)15(4,5)6/h13-14,16H,8-9,11-12H2,1-6H3.
What are the key properties of 3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine?
3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine is sourced from PubChem (CID 116725712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).