N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine

C13H25NO — CID 123172133

IUPACN-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine
SMILESC#CC(NCC)C(C)CC(C)(CC)OC
InChIInChI=1S/C13H25NO/c1-7-12(14-9-3)11(4)10-13(5,8-2)15-6/h1,11-12,14H,8-10H2,2-6H3
InChIKeyUSGHTKKWHJHSTR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds7

About N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine

N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine (PubChem CID 123172133) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine
PubChem CID123172133
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine
SMILESC#CC(NCC)C(C)CC(C)(CC)OC
InChIInChI=1S/C13H25NO/c1-7-12(14-9-3)11(4)10-13(5,8-2)15-6/h1,11-12,14H,8-10H2,2-6H3
InChIKeyUSGHTKKWHJHSTR-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
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

N-ethyl-5-methoxy-5-methylhept-1-yn-3-amine
CID 123391999
N-ethyl-3-ethynyl-5-methoxy-5-methyloctan-1-amine
CID 123853951
4-(3-Methoxyhex-5-yn-3-yl)piperidine
CID 141808507
5-methoxy-3,5-dimethyl-N-propylhexan-2-amine
CID 66438103
5-methoxy-N,3,5-trimethylhexan-2-amine
CID 66438298
N-ethyl-5-methoxy-3,5-dimethylhexan-2-amine
CID 66439387
2-methoxy-2-methyl-N-propylhept-6-yn-3-amine
CID 79197115
N-ethyl-2-methoxy-2-methylhept-6-yn-3-amine
CID 79198382
6-methoxy-N,2,4,6-tetramethylheptan-3-amine
CID 79298294
N-ethyl-6-methoxy-2,4,6-trimethylheptan-3-amine
CID 79299160
6-methoxy-2,4,6-trimethyl-N-propylheptan-3-amine
CID 79299498
6-methoxy-N,4,6-trimethylheptan-3-amine
CID 79307572

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine?
The IUPAC name of N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine (CID 123172133) is N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine.
What is the SMILES notation for N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine?
The canonical SMILES for N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine is C#CC(NCC)C(C)CC(C)(CC)OC.
What is the InChIKey of N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine?
The InChIKey is USGHTKKWHJHSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-7-12(14-9-3)11(4)10-13(5,8-2)15-6/h1,11-12,14H,8-10H2,2-6H3.
What are the key properties of N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine?
N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-4,6-dimethyloct-1-yn-3-amine is sourced from PubChem (CID 123172133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).