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

C13H24N2O — CID 115252837

IUPACN-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CNCc1ccc(C)o1)C(C)C
InChIInChI=1S/C13H24N2O/c1-10(2)12(7-14-4)8-15-9-13-6-5-11(3)16-13/h5-6,10,12,14-15H,7-9H2,1-4H3
InChIKeyGHAABLUYUDOTOR-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.17
Rot. Bonds7

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

N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252837) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252837
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CNCc1ccc(C)o1)C(C)C
InChIInChI=1S/C13H24N2O/c1-10(2)12(7-14-4)8-15-9-13-6-5-11(3)16-13/h5-6,10,12,14-15H,7-9H2,1-4H3
InChIKeyGHAABLUYUDOTOR-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252814
N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252801
N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62525254
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
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
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
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine (CID 115252837) is N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine is CNCC(CNCc1ccc(C)o1)C(C)C.
What is the InChIKey of N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is GHAABLUYUDOTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)12(7-14-4)8-15-9-13-6-5-11(3)16-13/h5-6,10,12,14-15H,7-9H2,1-4H3.
What are the key properties of N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).