1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine

C11H19NO — CID 59664767

IUPAC1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine
SMILESCCC(N)c1cc(C(C)C)c(C)o1
InChIInChI=1S/C11H19NO/c1-5-10(12)11-6-9(7(2)3)8(4)13-11/h6-7,10H,5,12H2,1-4H3
InChIKeyKXWWRDHKXRRUNF-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.12
Rot. Bonds3

About 1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine

1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine (PubChem CID 59664767) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine
PubChem CID59664767
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine
SMILESCCC(N)c1cc(C(C)C)c(C)o1
InChIInChI=1S/C11H19NO/c1-5-10(12)11-6-9(7(2)3)8(4)13-11/h6-7,10H,5,12H2,1-4H3
InChIKeyKXWWRDHKXRRUNF-UHFFFAOYSA-N
XLogP3.12
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine?
The IUPAC name of 1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine (CID 59664767) is 1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine is CCC(N)c1cc(C(C)C)c(C)o1.
What is the InChIKey of 1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine?
The InChIKey is KXWWRDHKXRRUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-10(12)11-6-9(7(2)3)8(4)13-11/h6-7,10H,5,12H2,1-4H3.
What are the key properties of 1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine?
1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 59664767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).