1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine

C12H22N2O — CID 62845853

IUPAC1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCCN(Cc1ccco1)CC(C)(C)NC
InChIInChI=1S/C12H22N2O/c1-5-14(10-12(2,3)13-4)9-11-7-6-8-15-11/h6-8,13H,5,9-10H2,1-4H3
InChIKeyYILCHFAGNMKJOG-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.10
Rot. Bonds6

About 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine

1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 62845853) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID62845853
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCCN(Cc1ccco1)CC(C)(C)NC
InChIInChI=1S/C12H22N2O/c1-5-14(10-12(2,3)13-4)9-11-7-6-8-15-11/h6-8,13H,5,9-10H2,1-4H3
InChIKeyYILCHFAGNMKJOG-UHFFFAOYSA-N
XLogP2.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine
CID 65003976
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 55055367
3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193959
N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 65247474
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
N-ethyl-4-[[ethyl(furan-2-ylmethyl)amino]methyl]oxolan-3-amine
CID 66259331
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62465389
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine (CID 62845853) is 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine is CCN(Cc1ccco1)CC(C)(C)NC.
What is the InChIKey of 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is YILCHFAGNMKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-14(10-12(2,3)13-4)9-11-7-6-8-15-11/h6-8,13H,5,9-10H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine?
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62845853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).