2-methoxy-2-methyl-N-propyloct-6-yn-4-amine

C13H25NO — CID 103024987

IUPAC2-methoxy-2-methyl-N-propyloct-6-yn-4-amine
SMILESCC#CCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C13H25NO/c1-6-8-9-12(14-10-7-2)11-13(3,4)15-5/h12,14H,7,9-11H2,1-5H3
InChIKeyWBZUGAGNWZVEHW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds7

About 2-methoxy-2-methyl-N-propyloct-6-yn-4-amine

2-methoxy-2-methyl-N-propyloct-6-yn-4-amine (PubChem CID 103024987) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-propyloct-6-yn-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-propyloct-6-yn-4-amine
PubChem CID103024987
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methoxy-2-methyl-N-propyloct-6-yn-4-amine
SMILESCC#CCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C13H25NO/c1-6-8-9-12(14-10-7-2)11-13(3,4)15-5/h12,14H,7,9-11H2,1-5H3
InChIKeyWBZUGAGNWZVEHW-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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

(3S)-2,2,5,5-tetramethyl-N-pent-3-ynyloxolan-3-amine
CID 99611405
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
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013816
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine
CID 29013878
N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine
CID 29013880
(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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-propyloct-6-yn-4-amine?
The IUPAC name of 2-methoxy-2-methyl-N-propyloct-6-yn-4-amine (CID 103024987) is 2-methoxy-2-methyl-N-propyloct-6-yn-4-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-propyloct-6-yn-4-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-propyloct-6-yn-4-amine is CC#CCC(CC(C)(C)OC)NCCC.
What is the InChIKey of 2-methoxy-2-methyl-N-propyloct-6-yn-4-amine?
The InChIKey is WBZUGAGNWZVEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-8-9-12(14-10-7-2)11-13(3,4)15-5/h12,14H,7,9-11H2,1-5H3.
What are the key properties of 2-methoxy-2-methyl-N-propyloct-6-yn-4-amine?
2-methoxy-2-methyl-N-propyloct-6-yn-4-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-propyloct-6-yn-4-amine is sourced from PubChem (CID 103024987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).