4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine

C12H21NO — CID 60743879

IUPAC4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine
SMILESCc1ccc(CNCCCC(C)C)o1
InChIInChI=1S/C12H21NO/c1-10(2)5-4-8-13-9-12-7-6-11(3)14-12/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyTYAQKOWKXADIMC-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.11
Rot. Bonds6

About 4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine

4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine (PubChem CID 60743879) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine
PubChem CID60743879
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine
SMILESCc1ccc(CNCCCC(C)C)o1
InChIInChI=1S/C12H21NO/c1-10(2)5-4-8-13-9-12-7-6-11(3)14-12/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyTYAQKOWKXADIMC-UHFFFAOYSA-N
XLogP3.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine (CID 60743879) is 4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine is Cc1ccc(CNCCCC(C)C)o1.
What is the InChIKey of 4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine?
The InChIKey is TYAQKOWKXADIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)5-4-8-13-9-12-7-6-11(3)14-12/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of 4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine?
4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methylfuran-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 60743879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).