1-(3-methylfuran-2-yl)-N-propylpropan-1-amine

C11H19NO — CID 104805698

IUPAC1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1occc1C
InChIInChI=1S/C11H19NO/c1-4-7-12-10(5-2)11-9(3)6-8-13-11/h6,8,10,12H,4-5,7H2,1-3H3
InChIKeyXXVHNRSKFMMSLC-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.04
Rot. Bonds5

About 1-(3-methylfuran-2-yl)-N-propylpropan-1-amine

1-(3-methylfuran-2-yl)-N-propylpropan-1-amine (PubChem CID 104805698) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
PubChem CID104805698
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1occc1C
InChIInChI=1S/C11H19NO/c1-4-7-12-10(5-2)11-9(3)6-8-13-11/h6,8,10,12H,4-5,7H2,1-3H3
InChIKeyXXVHNRSKFMMSLC-UHFFFAOYSA-N
XLogP3.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805164
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine
CID 104806146
N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 62387853
N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 113455397
1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine
CID 104805750
N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806129
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
N-[2-(3-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805826
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805965
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 61079881
N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 104805932

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-methylfuran-2-yl)-N-propylpropan-1-amine (CID 104805698) is 1-(3-methylfuran-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-methylfuran-2-yl)-N-propylpropan-1-amine is CCCNC(CC)c1occc1C.
What is the InChIKey of 1-(3-methylfuran-2-yl)-N-propylpropan-1-amine?
The InChIKey is XXVHNRSKFMMSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-7-12-10(5-2)11-9(3)6-8-13-11/h6,8,10,12H,4-5,7H2,1-3H3.
What are the key properties of 1-(3-methylfuran-2-yl)-N-propylpropan-1-amine?
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 3.04, 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-propylpropan-1-amine is sourced from PubChem (CID 104805698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).