N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine

C10H18N2O — CID 3159593

IUPACN,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccco1
InChIInChI=1S/C10H18N2O/c1-3-12(4-2)9(8-11)10-6-5-7-13-10/h5-7,9H,3-4,8,11H2,1-2H3
InChIKeyXIBTZZUXZNNSTP-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.62
Rot. Bonds5

About N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine

N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine (PubChem CID 3159593) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine
PubChem CID3159593
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccco1
InChIInChI=1S/C10H18N2O/c1-3-12(4-2)9(8-11)10-6-5-7-13-10/h5-7,9H,3-4,8,11H2,1-2H3
InChIKeyXIBTZZUXZNNSTP-UHFFFAOYSA-N
XLogP1.62
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine (CID 3159593) is N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine is CCN(CC)C(CN)c1ccco1.
What is the InChIKey of N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine?
The InChIKey is XIBTZZUXZNNSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-12(4-2)9(8-11)10-6-5-7-13-10/h5-7,9H,3-4,8,11H2,1-2H3.
What are the key properties of N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine?
N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 3159593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).