N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine

C10H13NO — CID 104805469

IUPACN-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine
SMILESC#CC(NCC)c1occc1C
InChIInChI=1S/C10H13NO/c1-4-9(11-5-2)10-8(3)6-7-12-10/h1,6-7,9,11H,5H2,2-3H3
InChIKeyXWEQVVLJVNEVPA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.87
Rot. Bonds3

About N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine

N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine (PubChem CID 104805469) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine
PubChem CID104805469
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine
SMILESC#CC(NCC)c1occc1C
InChIInChI=1S/C10H13NO/c1-4-9(11-5-2)10-8(3)6-7-12-10/h1,6-7,9,11H,5H2,2-3H3
InChIKeyXWEQVVLJVNEVPA-UHFFFAOYSA-N
XLogP1.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.87
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-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805164
N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine
CID 104805306
N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine
CID 104805256
N-ethyl-5-methyl-1-(3-methylfuran-2-yl)hexan-1-amine
CID 104805236
N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488099
N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine
CID 61063846
N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine
CID 104805664
N-ethyl-2-(furan-3-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104805287
3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805642
2-butan-2-yl-3-methylfuran
CID 89080868
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine
CID 62078327

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine?
The IUPAC name of N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine (CID 104805469) is N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine is C#CC(NCC)c1occc1C.
What is the InChIKey of N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine?
The InChIKey is XWEQVVLJVNEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-9(11-5-2)10-8(3)6-7-12-10/h1,6-7,9,11H,5H2,2-3H3.
What are the key properties of N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine?
N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylfuran-2-yl)prop-2-yn-1-amine is sourced from PubChem (CID 104805469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).