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

C17H31NO — CID 104805306

IUPACN-ethyl-1-(3-methylfuran-2-yl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1occc1C
InChIInChI=1S/C17H31NO/c1-4-6-7-8-9-10-11-12-16(18-5-2)17-15(3)13-14-19-17/h13-14,16,18H,4-12H2,1-3H3
InChIKeyKQWSQQDTHOBYCJ-UHFFFAOYSA-N
MW265.44 g/mol
LogP5.38
Rot. Bonds11

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

N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine (PubChem CID 104805306) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylfuran-2-yl)decan-1-amine
PubChem CID104805306
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-ethyl-1-(3-methylfuran-2-yl)decan-1-amine
SMILESCCCCCCCCCC(NCC)c1occc1C
InChIInChI=1S/C17H31NO/c1-4-6-7-8-9-10-11-12-16(18-5-2)17-15(3)13-14-19-17/h13-14,16,18H,4-12H2,1-3H3
InChIKeyKQWSQQDTHOBYCJ-UHFFFAOYSA-N
XLogP5.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.44
LogP ≤ 55.38
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)octan-1-amine
CID 104805256
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)decan-1-amine?
The IUPAC name of N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine (CID 104805306) is N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine is CCCCCCCCCC(NCC)c1occc1C.
What is the InChIKey of N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine?
The InChIKey is KQWSQQDTHOBYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-6-7-8-9-10-11-12-16(18-5-2)17-15(3)13-14-19-17/h13-14,16,18H,4-12H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine?
N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 5.38, 11 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)decan-1-amine is sourced from PubChem (CID 104805306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).