6-methoxy-6-methyl-N-propylhept-1-yn-4-amine

C12H23NO — CID 103024805

IUPAC6-methoxy-6-methyl-N-propylhept-1-yn-4-amine
SMILESC#CCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C12H23NO/c1-6-8-11(13-9-7-2)10-12(3,4)14-5/h1,11,13H,7-10H2,2-5H3
InChIKeyMXFNCANGUGPYLG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds7

About 6-methoxy-6-methyl-N-propylhept-1-yn-4-amine

6-methoxy-6-methyl-N-propylhept-1-yn-4-amine (PubChem CID 103024805) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 6-methoxy-6-methyl-N-propylhept-1-yn-4-amine.

Molecular Properties

Compound Name6-methoxy-6-methyl-N-propylhept-1-yn-4-amine
PubChem CID103024805
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name6-methoxy-6-methyl-N-propylhept-1-yn-4-amine
SMILESC#CCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C12H23NO/c1-6-8-11(13-9-7-2)10-12(3,4)14-5/h1,11,13H,7-10H2,2-5H3
InChIKeyMXFNCANGUGPYLG-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
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
(2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine
CID 29013904
(2S)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine
CID 29013906
(2S)-4-methoxy-4-methyl-N-pentylpentan-2-amine
CID 29013950
(2R)-4-methoxy-4-methyl-N-pentylpentan-2-amine
CID 29013952

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methyl-N-propylhept-1-yn-4-amine?
The IUPAC name of 6-methoxy-6-methyl-N-propylhept-1-yn-4-amine (CID 103024805) is 6-methoxy-6-methyl-N-propylhept-1-yn-4-amine.
What is the SMILES notation for 6-methoxy-6-methyl-N-propylhept-1-yn-4-amine?
The canonical SMILES for 6-methoxy-6-methyl-N-propylhept-1-yn-4-amine is C#CCC(CC(C)(C)OC)NCCC.
What is the InChIKey of 6-methoxy-6-methyl-N-propylhept-1-yn-4-amine?
The InChIKey is MXFNCANGUGPYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-8-11(13-9-7-2)10-12(3,4)14-5/h1,11,13H,7-10H2,2-5H3.
What are the key properties of 6-methoxy-6-methyl-N-propylhept-1-yn-4-amine?
6-methoxy-6-methyl-N-propylhept-1-yn-4-amine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyl-N-propylhept-1-yn-4-amine is sourced from PubChem (CID 103024805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).