N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine

C13H24N2O — CID 65247474

IUPACN'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine
SMILESCCN(CCC(C)(C)CN)Cc1ccco1
InChIInChI=1S/C13H24N2O/c1-4-15(8-7-13(2,3)11-14)10-12-6-5-9-16-12/h5-6,9H,4,7-8,10-11,14H2,1-3H3
InChIKeyZUXPCXQMQFQIKP-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.48
Rot. Bonds7

About N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine

N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 65247474) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID65247474
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine
SMILESCCN(CCC(C)(C)CN)Cc1ccco1
InChIInChI=1S/C13H24N2O/c1-4-15(8-7-13(2,3)11-14)10-12-6-5-9-16-12/h5-6,9H,4,7-8,10-11,14H2,1-3H3
InChIKeyZUXPCXQMQFQIKP-UHFFFAOYSA-N
XLogP2.48
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-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

4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62845853
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 65350506
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 23935795
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine
CID 65003976
N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 55089120

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine (CID 65247474) is N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine is CCN(CCC(C)(C)CN)Cc1ccco1.
What is the InChIKey of N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is ZUXPCXQMQFQIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-15(8-7-13(2,3)11-14)10-12-6-5-9-16-12/h5-6,9H,4,7-8,10-11,14H2,1-3H3.
What are the key properties of N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine?
N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 65247474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).