N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine

C10H13NO — CID 63655471

IUPACN-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine
SMILESC#CCCNCc1ccc(C)o1
InChIInChI=1S/C10H13NO/c1-3-4-7-11-8-10-6-5-9(2)12-10/h1,5-6,11H,4,7-8H2,2H3
InChIKeyNIERUTKSXZRHQY-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.70
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine

N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine (PubChem CID 63655471) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine
PubChem CID63655471
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine
SMILESC#CCCNCc1ccc(C)o1
InChIInChI=1S/C10H13NO/c1-3-4-7-11-8-10-6-5-9(2)12-10/h1,5-6,11H,4,7-8H2,2H3
InChIKeyNIERUTKSXZRHQY-UHFFFAOYSA-N
XLogP1.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
CID 103701651
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
N-[(5-methylthiophen-2-yl)methyl]but-3-yn-1-amine
CID 63656860
N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62525254
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
N-[(5-methylfuran-2-yl)methyl]hex-5-yn-3-amine
CID 115654930
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62523033
2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine
CID 61044402
N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
CID 106220264
2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 103080992
N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
CID 62559098

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine (CID 63655471) is N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine is C#CCCNCc1ccc(C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine?
The InChIKey is NIERUTKSXZRHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-4-7-11-8-10-6-5-9(2)12-10/h1,5-6,11H,4,7-8H2,2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine?
N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine is sourced from PubChem (CID 63655471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).