N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine

C14H24N2O2 — CID 70249143

IUPACN,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine
SMILESCC1=CCC(C)(NCCNC2(C)CC=C(C)O2)O1
InChIInChI=1S/C14H24N2O2/c1-11-5-7-13(3,17-11)15-9-10-16-14(4)8-6-12(2)18-14/h5-6,15-16H,7-10H2,1-4H3
InChIKeyRYVMVOKQTUNNAK-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.25
Rot. Bonds5

About N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine

N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine (PubChem CID 70249143) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine
PubChem CID70249143
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine
SMILESCC1=CCC(C)(NCCNC2(C)CC=C(C)O2)O1
InChIInChI=1S/C14H24N2O2/c1-11-5-7-13(3,17-11)15-9-10-16-14(4)8-6-12(2)18-14/h5-6,15-16H,7-10H2,1-4H3
InChIKeyRYVMVOKQTUNNAK-UHFFFAOYSA-N
XLogP2.25
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine (CID 70249143) is N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine is CC1=CCC(C)(NCCNC2(C)CC=C(C)O2)O1.
What is the InChIKey of N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine?
The InChIKey is RYVMVOKQTUNNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-5-7-13(3,17-11)15-9-10-16-14(4)8-6-12(2)18-14/h5-6,15-16H,7-10H2,1-4H3.
What are the key properties of N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine?
N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,5-dimethyl-3H-furan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 70249143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).