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

C14H27NO — CID 116725818

IUPAC3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
SMILESC#CCCC(NCC)C(OCC)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-7-10-11-12(15-8-2)13(16-9-3)14(4,5)6/h1,12-13,15H,8-11H2,2-6H3
InChIKeyDVWSRQRAEBSLSA-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds7

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

3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine (PubChem CID 116725818) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
PubChem CID116725818
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
SMILESC#CCCC(NCC)C(OCC)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-7-10-11-12(15-8-2)13(16-9-3)14(4,5)6/h1,12-13,15H,8-11H2,2-6H3
InChIKeyDVWSRQRAEBSLSA-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
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-dimethylnon-7-yn-4-amine
CID 116725712
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
CID 116725715
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
N-ethyl-3-methoxyoct-7-yn-4-amine
CID 116715754
4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine
CID 116725711
2-ethoxy-N-methylhept-6-yn-3-amine
CID 64532782
4-ethoxy-N-ethyl-5,5-dimethyl-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530763
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine
CID 114857105

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine?
The IUPAC name of 3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine (CID 116725818) is 3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine is C#CCCC(NCC)C(OCC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine?
The InChIKey is DVWSRQRAEBSLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-10-11-12(15-8-2)13(16-9-3)14(4,5)6/h1,12-13,15H,8-11H2,2-6H3.
What are the key properties of 3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine?
3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 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-dimethyloct-7-yn-4-amine is sourced from PubChem (CID 116725818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).