N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine

C11H20N2O — CID 114820512

IUPACN'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
SMILESCCCNCCNCc1coc(C)c1
InChIInChI=1S/C11H20N2O/c1-3-4-12-5-6-13-8-11-7-10(2)14-9-11/h7,9,12-13H,3-6,8H2,1-2H3
InChIKeyWXANZOLPHPJTLJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.68
Rot. Bonds7

About N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine

N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine (PubChem CID 114820512) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
PubChem CID114820512
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
SMILESCCCNCCNCc1coc(C)c1
InChIInChI=1S/C11H20N2O/c1-3-4-12-5-6-13-8-11-7-10(2)14-9-11/h7,9,12-13H,3-6,8H2,1-2H3
InChIKeyWXANZOLPHPJTLJ-UHFFFAOYSA-N
XLogP1.68
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.68
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

N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 114820520
2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine
CID 114820503
N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820560
N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820563
N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820562
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396
N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62448149
N-[(5-methylfuran-3-yl)methyl]butan-2-amine
CID 114820499
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 106316636
4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62437153

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine?
The IUPAC name of N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine (CID 114820512) is N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine?
The canonical SMILES for N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine is CCCNCCNCc1coc(C)c1.
What is the InChIKey of N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine?
The InChIKey is WXANZOLPHPJTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-12-5-6-13-8-11-7-10(2)14-9-11/h7,9,12-13H,3-6,8H2,1-2H3.
What are the key properties of N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine?
N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 114820512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).