N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

C12H22N2O — CID 62525254

IUPACN'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCCC(C)NCCNCc1ccc(C)o1
InChIInChI=1S/C12H22N2O/c1-4-10(2)14-8-7-13-9-12-6-5-11(3)15-12/h5-6,10,13-14H,4,7-9H2,1-3H3
InChIKeyGJIXTNNBMUFZFT-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.07
Rot. Bonds7

About N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine

N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 62525254) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID62525254
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCCC(C)NCCNCc1ccc(C)o1
InChIInChI=1S/C12H22N2O/c1-4-10(2)14-8-7-13-9-12-6-5-11(3)15-12/h5-6,10,13-14H,4,7-9H2,1-3H3
InChIKeyGJIXTNNBMUFZFT-UHFFFAOYSA-N
XLogP2.07
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-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

N-butan-2-yl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 60852866
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine
CID 61044402
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62523033
N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine
CID 63655471
N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252837
2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol
CID 111118884
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine
CID 82711189
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 103080992

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (CID 62525254) is N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is CCC(C)NCCNCc1ccc(C)o1.
What is the InChIKey of N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is GJIXTNNBMUFZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-10(2)14-8-7-13-9-12-6-5-11(3)15-12/h5-6,10,13-14H,4,7-9H2,1-3H3.
What are the key properties of N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62525254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).