3-ethoxy-N,3-diethylnon-7-yn-4-amine

C15H29NO — CID 116760060

IUPAC3-ethoxy-N,3-diethylnon-7-yn-4-amine
SMILESCC#CCCC(NCC)C(CC)(CC)OCC
InChIInChI=1S/C15H29NO/c1-6-11-12-13-14(16-9-4)15(7-2,8-3)17-10-5/h14,16H,7-10,12-13H2,1-5H3
InChIKeyXDRWGLWXLXIBJP-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds9

About 3-ethoxy-N,3-diethylnon-7-yn-4-amine

3-ethoxy-N,3-diethylnon-7-yn-4-amine (PubChem CID 116760060) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-ethoxy-N,3-diethylnon-7-yn-4-amine.

Molecular Properties

Compound Name3-ethoxy-N,3-diethylnon-7-yn-4-amine
PubChem CID116760060
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-ethoxy-N,3-diethylnon-7-yn-4-amine
SMILESCC#CCCC(NCC)C(CC)(CC)OCC
InChIInChI=1S/C15H29NO/c1-6-11-12-13-14(16-9-4)15(7-2,8-3)17-10-5/h14,16H,7-10,12-13H2,1-5H3
InChIKeyXDRWGLWXLXIBJP-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N,3-diethylnon-7-yn-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine
CID 99611405
5-ethoxy-1,1,1-trifluoro-5-methyl-N-propylheptan-4-amine
CID 113561385
5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine
CID 116758803
5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine
CID 116759082
5-ethoxy-5-ethyl-1,1,1-trifluoro-N-methylheptan-4-amine
CID 116759880
5-ethoxy-N,5-diethyl-1,1,1-trifluoroheptan-4-amine
CID 116760138
5-ethoxy-5-ethyl-1,1,1-trifluoro-N-propylheptan-4-amine
CID 116760339
3-Ethyl-2-methyl-2-propylmorpholine
CID 57309162
(2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 59906417
(2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 59906437
(2S,4S)-2,5,5-triethyl-4-propyl-1,3-oxazolidine
CID 70255140
N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 72592889

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,3-diethylnon-7-yn-4-amine?
The IUPAC name of 3-ethoxy-N,3-diethylnon-7-yn-4-amine (CID 116760060) is 3-ethoxy-N,3-diethylnon-7-yn-4-amine.
What is the SMILES notation for 3-ethoxy-N,3-diethylnon-7-yn-4-amine?
The canonical SMILES for 3-ethoxy-N,3-diethylnon-7-yn-4-amine is CC#CCCC(NCC)C(CC)(CC)OCC.
What is the InChIKey of 3-ethoxy-N,3-diethylnon-7-yn-4-amine?
The InChIKey is XDRWGLWXLXIBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-11-12-13-14(16-9-4)15(7-2,8-3)17-10-5/h14,16H,7-10,12-13H2,1-5H3.
What are the key properties of 3-ethoxy-N,3-diethylnon-7-yn-4-amine?
3-ethoxy-N,3-diethylnon-7-yn-4-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,3-diethylnon-7-yn-4-amine is sourced from PubChem (CID 116760060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).