N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine

C10H19NO — CID 105158261

IUPACN-ethyl-6-methoxy-5-methylhex-1-yn-3-amine
SMILESC#CC(CC(C)COC)NCC
InChIInChI=1S/C10H19NO/c1-5-10(11-6-2)7-9(3)8-12-4/h1,9-11H,6-8H2,2-4H3
InChIKeyTUPXJGNHYCYDLR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds6

About N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine

N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine (PubChem CID 105158261) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-5-methylhex-1-yn-3-amine
PubChem CID105158261
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-ethyl-6-methoxy-5-methylhex-1-yn-3-amine
SMILESC#CC(CC(C)COC)NCC
InChIInChI=1S/C10H19NO/c1-5-10(11-6-2)7-9(3)8-12-4/h1,9-11H,6-8H2,2-4H3
InChIKeyTUPXJGNHYCYDLR-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
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-6-methoxy-4,6-dimethyloct-1-yn-3-amine
CID 123172133
N-ethyl-3-(methoxymethyl)cyclobutan-1-amine
CID 139429855
3-(methoxymethyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 153427651
3-(methoxymethyl)-N-propan-2-ylcyclobutan-1-amine
CID 154957564
6-methoxy-4-methyl-N-propylhexan-3-amine
CID 55219084
N-ethyl-5-methoxy-3-methylpentan-2-amine
CID 60995312
N-ethyl-6-methoxy-2-methylhexan-3-amine
CID 60995450
6-methoxy-2-methyl-N-propylhexan-3-amine
CID 60995727
5-methoxy-N,3-dimethylpentan-2-amine
CID 60995732
5-methoxy-3-methyl-N-propylpentan-2-amine
CID 60995742
5-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 60995871
5-ethoxy-3-methyl-N-propylpentan-2-amine
CID 60996284

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine?
The IUPAC name of N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine (CID 105158261) is N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine.
What is the SMILES notation for N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine?
The canonical SMILES for N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine is C#CC(CC(C)COC)NCC.
What is the InChIKey of N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine?
The InChIKey is TUPXJGNHYCYDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-10(11-6-2)7-9(3)8-12-4/h1,9-11H,6-8H2,2-4H3.
What are the key properties of N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine?
N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine is sourced from PubChem (CID 105158261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).