2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine

C12H22N2O2 — CID 63069854

IUPAC2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
SMILESCCOC(CN)CN(CC)Cc1ccco1
InChIInChI=1S/C12H22N2O2/c1-3-14(9-11-6-5-7-16-11)10-12(8-13)15-4-2/h5-7,12H,3-4,8-10,13H2,1-2H3
InChIKeyLOPKKEWKYZXAHV-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.47
Rot. Bonds8

About 2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine

2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine (PubChem CID 63069854) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
PubChem CID63069854
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
SMILESCCOC(CN)CN(CC)Cc1ccco1
InChIInChI=1S/C12H22N2O2/c1-3-14(9-11-6-5-7-16-11)10-12(8-13)15-4-2/h5-7,12H,3-4,8-10,13H2,1-2H3
InChIKeyLOPKKEWKYZXAHV-UHFFFAOYSA-N
XLogP1.47
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine
CID 63619200
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 55146279
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 65247474
1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61423306
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
CID 56806430
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine (CID 63069854) is 2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine is CCOC(CN)CN(CC)Cc1ccco1.
What is the InChIKey of 2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is LOPKKEWKYZXAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-14(9-11-6-5-7-16-11)10-12(8-13)15-4-2/h5-7,12H,3-4,8-10,13H2,1-2H3.
What are the key properties of 2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine?
2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 63069854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).