6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine

C13H16N2O — CID 172548780

IUPAC6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine
SMILESNCC#Cc1ccc(C#CCCCCN)o1
InChIInChI=1S/C13H16N2O/c14-10-4-2-1-3-6-12-8-9-13(16-12)7-5-11-15/h8-9H,1-2,4,10-11,14-15H2
InChIKeyIWNDYDFBBOQXEW-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.07
Rot. Bonds3

About 6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine

6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine (PubChem CID 172548780) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine.

Molecular Properties

Compound Name6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine
PubChem CID172548780
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine
SMILESNCC#Cc1ccc(C#CCCCCN)o1
InChIInChI=1S/C13H16N2O/c14-10-4-2-1-3-6-12-8-9-13(16-12)7-5-11-15/h8-9H,1-2,4,10-11,14-15H2
InChIKeyIWNDYDFBBOQXEW-UHFFFAOYSA-N
XLogP1.07
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine
CID 172548773
6-(3-bromo-2,6-difluorophenyl)hex-5-yn-1-amine
CID 106208884
6-(2,3,4-trifluorophenyl)hex-5-yn-1-amine
CID 106208717
5-(2,6-difluorophenyl)pent-4-yn-1-amine
CID 106220097
6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine
CID 106208946
6-(3-methylphenyl)hex-5-yn-1-amine
CID 103691725
6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
CID 106208844
6-(3,4-diethylphenyl)hex-5-yn-1-amine
CID 106208997
13-[5-(11-oxo-13-trimethylsilyltridec-9-en-1,12-diynyl)furan-2-yl]-1-trimethylsilyltridec-4-en-1,12-diyn-3-one
CID 57366028
6-(2-ethoxyphenyl)hex-5-yn-1-amine
CID 106208701
6-[2-(trifluoromethoxy)phenyl]hex-5-yn-1-amine
CID 114158372
N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide
CID 22216806

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine?
The IUPAC name of 6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine (CID 172548780) is 6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine.
What is the SMILES notation for 6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine?
The canonical SMILES for 6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine is NCC#Cc1ccc(C#CCCCCN)o1.
What is the InChIKey of 6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine?
The InChIKey is IWNDYDFBBOQXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-10-4-2-1-3-6-12-8-9-13(16-12)7-5-11-15/h8-9H,1-2,4,10-11,14-15H2.
What are the key properties of 6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine?
6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine has a molecular weight of 216.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine is sourced from PubChem (CID 172548780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).