1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine

C11H17NO — CID 104805750

IUPAC1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1occc1C
InChIInChI=1S/C11H17NO/c1-4-7-12-10(5-2)11-9(3)6-8-13-11/h5-6,8,10,12H,2,4,7H2,1,3H3
InChIKeyMAQDTGJHCHCHIV-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.81
Rot. Bonds5

About 1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine

1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 104805750) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine
PubChem CID104805750
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1occc1C
InChIInChI=1S/C11H17NO/c1-4-7-12-10(5-2)11-9(3)6-8-13-11/h5-6,8,10,12H,2,4,7H2,1,3H3
InChIKeyMAQDTGJHCHCHIV-UHFFFAOYSA-N
XLogP2.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 43496415
N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 104806139
1-(2-fluoro-3-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000986
N-[(3-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302837
N-[(3-methylfuran-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 104806165
N-[(2-chloro-4,5-dimethylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115484217
1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine
CID 81277074
1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
CID 116660927
1-(4-bromo-2-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000814
1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine
CID 105000824

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine (CID 104805750) is 1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine is C=CC(NCCC)c1occc1C.
What is the InChIKey of 1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is MAQDTGJHCHCHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-7-12-10(5-2)11-9(3)6-8-13-11/h5-6,8,10,12H,2,4,7H2,1,3H3.
What are the key properties of 1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine?
1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 104805750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).