1-(furan-2-yl)-N-methyloct-6-yn-3-amine

C13H19NO — CID 105181452

IUPAC1-(furan-2-yl)-N-methyloct-6-yn-3-amine
SMILESCC#CCCC(CCc1ccco1)NC
InChIInChI=1S/C13H19NO/c1-3-4-5-7-12(14-2)9-10-13-8-6-11-15-13/h6,8,11-12,14H,5,7,9-10H2,1-2H3
InChIKeyUJOVGBPPEHFZBC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.60
Rot. Bonds6

About 1-(furan-2-yl)-N-methyloct-6-yn-3-amine

1-(furan-2-yl)-N-methyloct-6-yn-3-amine (PubChem CID 105181452) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyloct-6-yn-3-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyloct-6-yn-3-amine
PubChem CID105181452
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(furan-2-yl)-N-methyloct-6-yn-3-amine
SMILESCC#CCCC(CCc1ccco1)NC
InChIInChI=1S/C13H19NO/c1-3-4-5-7-12(14-2)9-10-13-8-6-11-15-13/h6,8,11-12,14H,5,7,9-10H2,1-2H3
InChIKeyUJOVGBPPEHFZBC-UHFFFAOYSA-N
XLogP2.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.60
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-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine
CID 105113102
1-cyclohexyl-5-(furan-2-yl)-N-methylpentan-3-amine
CID 114193094
1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61064838
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
4-(furan-2-yl)-N-methyl-1-naphthalen-1-ylbutan-2-amine
CID 61078586
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 105139496
1-(furan-2-yl)hexan-3-ylhydrazine
CID 105282196
4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154857
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
[4-(furan-2-yl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066795
3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141555

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyloct-6-yn-3-amine?
The IUPAC name of 1-(furan-2-yl)-N-methyloct-6-yn-3-amine (CID 105181452) is 1-(furan-2-yl)-N-methyloct-6-yn-3-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyloct-6-yn-3-amine?
The canonical SMILES for 1-(furan-2-yl)-N-methyloct-6-yn-3-amine is CC#CCCC(CCc1ccco1)NC.
What is the InChIKey of 1-(furan-2-yl)-N-methyloct-6-yn-3-amine?
The InChIKey is UJOVGBPPEHFZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-5-7-12(14-2)9-10-13-8-6-11-15-13/h6,8,11-12,14H,5,7,9-10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-methyloct-6-yn-3-amine?
1-(furan-2-yl)-N-methyloct-6-yn-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyloct-6-yn-3-amine is sourced from PubChem (CID 105181452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).