6-methoxy-N,6-dimethylhept-1-yn-4-amine

C10H19NO — CID 103024802

IUPAC6-methoxy-N,6-dimethylhept-1-yn-4-amine
SMILESC#CCC(CC(C)(C)OC)NC
InChIInChI=1S/C10H19NO/c1-6-7-9(11-4)8-10(2,3)12-5/h1,9,11H,7-8H2,2-5H3
InChIKeyAKJAYZNZGKSOEE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds5

About 6-methoxy-N,6-dimethylhept-1-yn-4-amine

6-methoxy-N,6-dimethylhept-1-yn-4-amine (PubChem CID 103024802) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-methoxy-N,6-dimethylhept-1-yn-4-amine.

Molecular Properties

Compound Name6-methoxy-N,6-dimethylhept-1-yn-4-amine
PubChem CID103024802
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-methoxy-N,6-dimethylhept-1-yn-4-amine
SMILESC#CCC(CC(C)(C)OC)NC
InChIInChI=1S/C10H19NO/c1-6-7-9(11-4)8-10(2,3)12-5/h1,9,11H,7-8H2,2-5H3
InChIKeyAKJAYZNZGKSOEE-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
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-5-methoxy-5-methylhept-1-yn-3-amine
CID 123391999
(2R)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
CID 29013888
(2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
CID 29013890
(2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013896
(2S)-N-[(2S)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013898
(2R)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013900
(2R)-N-[(2S)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013902
(2S)-N-butyl-4-methoxy-4-methylpentan-2-amine
CID 29014050
(2R)-N-butyl-4-methoxy-4-methylpentan-2-amine
CID 29014052
(2S)-N-hexyl-4-methoxy-4-methylpentan-2-amine
CID 29014646
(2R)-N-hexyl-4-methoxy-4-methylpentan-2-amine
CID 29014648

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,6-dimethylhept-1-yn-4-amine?
The IUPAC name of 6-methoxy-N,6-dimethylhept-1-yn-4-amine (CID 103024802) is 6-methoxy-N,6-dimethylhept-1-yn-4-amine.
What is the SMILES notation for 6-methoxy-N,6-dimethylhept-1-yn-4-amine?
The canonical SMILES for 6-methoxy-N,6-dimethylhept-1-yn-4-amine is C#CCC(CC(C)(C)OC)NC.
What is the InChIKey of 6-methoxy-N,6-dimethylhept-1-yn-4-amine?
The InChIKey is AKJAYZNZGKSOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-7-9(11-4)8-10(2,3)12-5/h1,9,11H,7-8H2,2-5H3.
What are the key properties of 6-methoxy-N,6-dimethylhept-1-yn-4-amine?
6-methoxy-N,6-dimethylhept-1-yn-4-amine has a molecular weight of 169.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,6-dimethylhept-1-yn-4-amine is sourced from PubChem (CID 103024802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).