2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine

C11H20N2O — CID 61044402

IUPAC2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine
SMILESCc1ccc(CNCC(C)N(C)C)o1
InChIInChI=1S/C11H20N2O/c1-9(13(3)4)7-12-8-11-6-5-10(2)14-11/h5-6,9,12H,7-8H2,1-4H3
InChIKeyQGOVLABNUVMSTE-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.63
Rot. Bonds5

About 2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine

2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine (PubChem CID 61044402) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine
PubChem CID61044402
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine
SMILESCc1ccc(CNCC(C)N(C)C)o1
InChIInChI=1S/C11H20N2O/c1-9(13(3)4)7-12-8-11-6-5-10(2)14-11/h5-6,9,12H,7-8H2,1-4H3
InChIKeyQGOVLABNUVMSTE-UHFFFAOYSA-N
XLogP1.63
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43182619
N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252837
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357
N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62525254
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide
CID 106170390
4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
CID 62523205
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol
CID 111118884
2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118617

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine (CID 61044402) is 2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine is Cc1ccc(CNCC(C)N(C)C)o1.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine?
The InChIKey is QGOVLABNUVMSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(13(3)4)7-12-8-11-6-5-10(2)14-11/h5-6,9,12H,7-8H2,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 61044402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).