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

C12H22N2O — CID 62575992

IUPACN'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCc1ccoc1
InChIInChI=1S/C12H22N2O/c1-3-7-14(4-2)8-6-13-10-12-5-9-15-11-12/h5,9,11,13H,3-4,6-8,10H2,1-2H3
InChIKeyKJHSGLFLLWYGRV-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.10
Rot. Bonds8

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

N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine (PubChem CID 62575992) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
PubChem CID62575992
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCc1ccoc1
InChIInChI=1S/C12H22N2O/c1-3-7-14(4-2)8-6-13-10-12-5-9-15-11-12/h5,9,11,13H,3-4,6-8,10H2,1-2H3
InChIKeyKJHSGLFLLWYGRV-UHFFFAOYSA-N
XLogP2.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62557516
N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55089726
N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine
CID 55089579
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720781
N-(furan-3-ylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554753
N-(furan-3-ylmethyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63864393
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
N-[(5-bromo-3-pyridinyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 104856993
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
CID 103720708
2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
CID 113247970

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine (CID 62575992) is N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine is CCCN(CC)CCNCc1ccoc1.
What is the InChIKey of N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine?
The InChIKey is KJHSGLFLLWYGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-7-14(4-2)8-6-13-10-12-5-9-15-11-12/h5,9,11,13H,3-4,6-8,10H2,1-2H3.
What are the key properties of N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine?
N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62575992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).