N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine

C11H20N2O — CID 114820562

IUPACN',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
SMILESCc1cc(CNCCCN(C)C)co1
InChIInChI=1S/C11H20N2O/c1-10-7-11(9-14-10)8-12-5-4-6-13(2)3/h7,9,12H,4-6,8H2,1-3H3
InChIKeyWZYKYEMRSICCGQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.63
Rot. Bonds6

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

N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine (PubChem CID 114820562) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
PubChem CID114820562
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
SMILESCc1cc(CNCCCN(C)C)co1
InChIInChI=1S/C11H20N2O/c1-10-7-11(9-14-10)8-12-5-4-6-13(2)3/h7,9,12H,4-6,8H2,1-3H3
InChIKeyWZYKYEMRSICCGQ-UHFFFAOYSA-N
XLogP1.63
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820563
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
N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
CID 114820512
N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820560
2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine
CID 114820503
N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60788789
N-[(3-fluoro-4-methylphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 63646355
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
N-[(4-aminophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 82672398
N-[[3-[5-[3-(dimethylamino)propylamino]pentyl]phenyl]methyl]-N',N'-dimethylheptane-1,7-diamine
CID 146687225
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine (CID 114820562) is N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine is Cc1cc(CNCCCN(C)C)co1.
What is the InChIKey of N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine?
The InChIKey is WZYKYEMRSICCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10-7-11(9-14-10)8-12-5-4-6-13(2)3/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine?
N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 114820562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).