N-[(5-methylfuran-3-yl)methyl]butan-2-amine

C10H17NO — CID 114820499

IUPACN-[(5-methylfuran-3-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1coc(C)c1
InChIInChI=1S/C10H17NO/c1-4-8(2)11-6-10-5-9(3)12-7-10/h5,7-8,11H,4,6H2,1-3H3
InChIKeyYPVCWVJZCHBRHZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.48
Rot. Bonds4

About N-[(5-methylfuran-3-yl)methyl]butan-2-amine

N-[(5-methylfuran-3-yl)methyl]butan-2-amine (PubChem CID 114820499) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(5-methylfuran-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-3-yl)methyl]butan-2-amine
PubChem CID114820499
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(5-methylfuran-3-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1coc(C)c1
InChIInChI=1S/C10H17NO/c1-4-8(2)11-6-10-5-9(3)12-7-10/h5,7-8,11H,4,6H2,1-3H3
InChIKeyYPVCWVJZCHBRHZ-UHFFFAOYSA-N
XLogP2.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-N-(1-methylhexyl)-3-furamide
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2-methyl-N-undecyl-3-furamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-3-yl)methyl]butan-2-amine?
The IUPAC name of N-[(5-methylfuran-3-yl)methyl]butan-2-amine (CID 114820499) is N-[(5-methylfuran-3-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(5-methylfuran-3-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(5-methylfuran-3-yl)methyl]butan-2-amine is CCC(C)NCc1coc(C)c1.
What is the InChIKey of N-[(5-methylfuran-3-yl)methyl]butan-2-amine?
The InChIKey is YPVCWVJZCHBRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-8(2)11-6-10-5-9(3)12-7-10/h5,7-8,11H,4,6H2,1-3H3.
What are the key properties of N-[(5-methylfuran-3-yl)methyl]butan-2-amine?
N-[(5-methylfuran-3-yl)methyl]butan-2-amine has a molecular weight of 167.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 114820499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).