1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine

C11H16N2O — CID 116643387

IUPAC1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine
SMILESCC#CCCNC(CN)c1ccoc1
InChIInChI=1S/C11H16N2O/c1-2-3-4-6-13-11(8-12)10-5-7-14-9-10/h5,7,9,11,13H,4,6,8,12H2,1H3
InChIKeyUEAVQNQLPPVKKI-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.28
Rot. Bonds5

About 1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine

1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine (PubChem CID 116643387) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine
PubChem CID116643387
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine
SMILESCC#CCCNC(CN)c1ccoc1
InChIInChI=1S/C11H16N2O/c1-2-3-4-6-13-11(8-12)10-5-7-14-9-10/h5,7,9,11,13H,4,6,8,12H2,1H3
InChIKeyUEAVQNQLPPVKKI-UHFFFAOYSA-N
XLogP1.28
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(furan-3-yl)-N-pent-3-ynylethane-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

Related Compounds

1-(4-methylsulfanylphenyl)-N-pent-3-ynylethane-1,2-diamine
CID 116643336
N-pent-3-ynyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 116643484
1-(3-chlorophenyl)-N-pent-3-ynylethane-1,2-diamine
CID 116643330
1-(furan-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466298
N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
CID 65378964
1-(2,5-dimethoxyphenyl)-N-pent-3-ynylethane-1,2-diamine
CID 116643369
(1S)-1-(furan-3-yl)pent-3-yn-1-ol
CID 11321039
2-N-pent-3-ynylpropane-1,2-diamine
CID 116643455
3-(pent-3-ynylamino)-3-phenylpropanenitrile
CID 116643737
N-[1-(4-chlorophenyl)propyl]pent-3-yn-1-amine
CID 104758049
N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine
CID 65380747
1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine
CID 66039717

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine?
The IUPAC name of 1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine (CID 116643387) is 1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine.
What is the SMILES notation for 1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine?
The canonical SMILES for 1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine is CC#CCCNC(CN)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine?
The InChIKey is UEAVQNQLPPVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-3-4-6-13-11(8-12)10-5-7-14-9-10/h5,7,9,11,13H,4,6,8,12H2,1H3.
What are the key properties of 1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine?
1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine has a molecular weight of 192.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-pent-3-ynylethane-1,2-diamine is sourced from PubChem (CID 116643387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).