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

C13H24N2O — CID 115206193

IUPACN-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine
SMILESCCNCCNCC(C)(C)c1ccc(C)o1
InChIInChI=1S/C13H24N2O/c1-5-14-8-9-15-10-13(3,4)12-7-6-11(2)16-12/h6-7,14-15H,5,8-10H2,1-4H3
InChIKeyIEXPTDCEHJQSHP-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.06
Rot. Bonds7

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

N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine (PubChem CID 115206193) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine
PubChem CID115206193
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine
SMILESCCNCCNCC(C)(C)c1ccc(C)o1
InChIInChI=1S/C13H24N2O/c1-5-14-8-9-15-10-13(3,4)12-7-6-11(2)16-12/h6-7,14-15H,5,8-10H2,1-4H3
InChIKeyIEXPTDCEHJQSHP-UHFFFAOYSA-N
XLogP2.06
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine
CID 115136377
2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile
CID 115131576
ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate
CID 115257618
2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol
CID 115133777
N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine
CID 79830952
4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
CID 115155862
N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115206175
4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol
CID 115149649
N-methyl-2-(5-methylfuran-2-yl)propan-2-amine
CID 83681997
tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate
CID 143958785
N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine
CID 115118379
methyl 4-methyl-4-(5-methylfuran-2-yl)pentanoate
CID 14357301

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine (CID 115206193) is N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine is CCNCCNCC(C)(C)c1ccc(C)o1.
What is the InChIKey of N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine?
The InChIKey is IEXPTDCEHJQSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-14-8-9-15-10-13(3,4)12-7-6-11(2)16-12/h6-7,14-15H,5,8-10H2,1-4H3.
What are the key properties of N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine?
N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-methyl-2-(5-methylfuran-2-yl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 115206193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).