1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine

C18H35NO — CID 102653271

IUPAC1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
SMILESCCCCCCCCCCCC(NCC)C1=CCCO1
InChIInChI=1S/C18H35NO/c1-3-5-6-7-8-9-10-11-12-14-17(19-4-2)18-15-13-16-20-18/h15,17,19H,3-14,16H2,1-2H3
InChIKeyGJUAOPSQXBVWRU-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.19
Rot. Bonds13

About 1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine

1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine (PubChem CID 102653271) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
PubChem CID102653271
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
SMILESCCCCCCCCCCCC(NCC)C1=CCCO1
InChIInChI=1S/C18H35NO/c1-3-5-6-7-8-9-10-11-12-14-17(19-4-2)18-15-13-16-20-18/h15,17,19H,3-14,16H2,1-2H3
InChIKeyGJUAOPSQXBVWRU-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
CID 102653741
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine
CID 102653276
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 102653662
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine
CID 102648757
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 102653664
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102653222
1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
CID 63506129
2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine
CID 102651241
1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 102647764
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 102653559
1-(cyclopenten-1-yl)-N-ethylhexan-1-amine
CID 62080366
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine (CID 102653271) is 1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine is CCCCCCCCCCCC(NCC)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine?
The InChIKey is GJUAOPSQXBVWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-5-6-7-8-9-10-11-12-14-17(19-4-2)18-15-13-16-20-18/h15,17,19H,3-14,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine?
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 5.19, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine is sourced from PubChem (CID 102653271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).