N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine

C12H22N2O — CID 142147994

IUPACN'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine
SMILESCCC=C(NCCNCC)C1=CCCO1
InChIInChI=1S/C12H22N2O/c1-3-6-11(12-7-5-10-15-12)14-9-8-13-4-2/h6-7,13-14H,3-5,8-10H2,1-2H3
InChIKeyNREHZDZXXJBANU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.78
Rot. Bonds7

About N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine

N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine (PubChem CID 142147994) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine
PubChem CID142147994
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine
SMILESCCC=C(NCCNCC)C1=CCCO1
InChIInChI=1S/C12H22N2O/c1-3-6-11(12-7-5-10-15-12)14-9-8-13-4-2/h6-7,13-14H,3-5,8-10H2,1-2H3
InChIKeyNREHZDZXXJBANU-UHFFFAOYSA-N
XLogP1.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine?
The IUPAC name of N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine (CID 142147994) is N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine is CCC=C(NCCNCC)C1=CCCO1.
What is the InChIKey of N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine?
The InChIKey is NREHZDZXXJBANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-6-11(12-7-5-10-15-12)14-9-8-13-4-2/h6-7,13-14H,3-5,8-10H2,1-2H3.
What are the key properties of N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine?
N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,3-dihydrofuran-5-yl)but-1-enyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 142147994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).