3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine

C16H31NO — CID 116760281

IUPAC3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine
SMILESCC#CCCC(NCCC)C(CC)(CC)OCC
InChIInChI=1S/C16H31NO/c1-6-11-12-13-15(17-14-7-2)16(8-3,9-4)18-10-5/h15,17H,7-10,12-14H2,1-5H3
InChIKeyIVFFWPVXOLTYEH-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds10

About 3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine

3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine (PubChem CID 116760281) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine
PubChem CID116760281
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine
SMILESCC#CCCC(NCCC)C(CC)(CC)OCC
InChIInChI=1S/C16H31NO/c1-6-11-12-13-15(17-14-7-2)16(8-3,9-4)18-10-5/h15,17H,7-10,12-14H2,1-5H3
InChIKeyIVFFWPVXOLTYEH-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
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,3-diethylnon-7-yn-4-amine
CID 116760060
3-ethoxy-3-ethyl-N-propyloct-6-yn-4-amine
CID 116760435
1,3-diethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760303
2-ethoxy-2-methyl-N-propylhept-5-yn-3-amine
CID 116727243
(3-ethoxy-3-methylnon-7-yn-4-yl)hydrazine
CID 105274834
3-ethoxy-3-ethyl-N-methyloct-6-yn-4-amine
CID 116760027
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760397
3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116760324
4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103012429
3-ethoxy-3-ethyl-N-methylheptan-4-amine
CID 116759889
3-N,3-N-diethyl-3-methyl-4-N-propyloct-6-yne-3,4-diamine
CID 79068530

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine?
The IUPAC name of 3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine (CID 116760281) is 3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine.
What is the SMILES notation for 3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine?
The canonical SMILES for 3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine is CC#CCCC(NCCC)C(CC)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine?
The InChIKey is IVFFWPVXOLTYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-11-12-13-15(17-14-7-2)16(8-3,9-4)18-10-5/h15,17H,7-10,12-14H2,1-5H3.
What are the key properties of 3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine?
3-ethoxy-3-ethyl-N-propylnon-7-yn-4-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 10 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-propylnon-7-yn-4-amine is sourced from PubChem (CID 116760281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).