N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine

C19H30N2O2 — CID 3955702

IUPACN,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(Cc1ccc(C)o1)Cc1ccc(C)o1
InChIInChI=1S/C19H30N2O2/c1-5-20(6-2)12-7-13-21(14-18-10-8-16(3)22-18)15-19-11-9-17(4)23-19/h8-11H,5-7,12-15H2,1-4H3
InChIKeyCEGNVVBQHXHNIS-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.22
Rot. Bonds10

About N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine

N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine (PubChem CID 3955702) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
PubChem CID3955702
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(Cc1ccc(C)o1)Cc1ccc(C)o1
InChIInChI=1S/C19H30N2O2/c1-5-20(6-2)12-7-13-21(14-18-10-8-16(3)22-18)15-19-11-9-17(4)23-19/h8-11H,5-7,12-15H2,1-4H3
InChIKeyCEGNVVBQHXHNIS-UHFFFAOYSA-N
XLogP4.22
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine (CID 3955702) is N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine is CCN(CC)CCCN(Cc1ccc(C)o1)Cc1ccc(C)o1.
What is the InChIKey of N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
The InChIKey is CEGNVVBQHXHNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-20(6-2)12-7-13-21(14-18-10-8-16(3)22-18)15-19-11-9-17(4)23-19/h8-11H,5-7,12-15H2,1-4H3.
What are the key properties of N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine has a molecular weight of 318.46 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 3955702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).