N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine

C15H27NO — CID 104805256

IUPACN-ethyl-1-(3-methylfuran-2-yl)octan-1-amine
SMILESCCCCCCCC(NCC)c1occc1C
InChIInChI=1S/C15H27NO/c1-4-6-7-8-9-10-14(16-5-2)15-13(3)11-12-17-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeyJAQINONWLZQVQC-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.60
Rot. Bonds9

About N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine

N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine (PubChem CID 104805256) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylfuran-2-yl)octan-1-amine
PubChem CID104805256
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-ethyl-1-(3-methylfuran-2-yl)octan-1-amine
SMILESCCCCCCCC(NCC)c1occc1C
InChIInChI=1S/C15H27NO/c1-4-6-7-8-9-10-14(16-5-2)15-13(3)11-12-17-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeyJAQINONWLZQVQC-UHFFFAOYSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.60
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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Related Compounds

N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine
CID 104805306
1-(3-methylfuran-2-yl)tridecylhydrazine
CID 105269333
N-ethyl-5-methyl-1-(3-methylfuran-2-yl)hexan-1-amine
CID 104805236
N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805164
1-(3-methylfuran-2-yl)nonan-1-ol
CID 104800699
N-ethyl-1-(2-methylfuran-3-yl)decan-1-amine
CID 104790131
3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805642
1-(2-bromofuran-3-yl)-N-ethyldecan-1-amine
CID 106857211
4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine
CID 104806146
N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine
CID 61063846
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine?
The IUPAC name of N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine (CID 104805256) is N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine is CCCCCCCC(NCC)c1occc1C.
What is the InChIKey of N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine?
The InChIKey is JAQINONWLZQVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-6-7-8-9-10-14(16-5-2)15-13(3)11-12-17-15/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine?
N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine is sourced from PubChem (CID 104805256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).