N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine

C12H22N2O — CID 61424069

IUPACN,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
SMILESCNCCCCN(C)Cc1ccoc1C
InChIInChI=1S/C12H22N2O/c1-11-12(6-9-15-11)10-14(3)8-5-4-7-13-2/h6,9,13H,4-5,7-8,10H2,1-3H3
InChIKeyVSDDMWGFRLEPQB-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.02
Rot. Bonds7

About N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine

N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine (PubChem CID 61424069) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
PubChem CID61424069
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
SMILESCNCCCCN(C)Cc1ccoc1C
InChIInChI=1S/C12H22N2O/c1-11-12(6-9-15-11)10-14(3)8-5-4-7-13-2/h6,9,13H,4-5,7-8,10H2,1-3H3
InChIKeyVSDDMWGFRLEPQB-UHFFFAOYSA-N
XLogP2.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.02
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-tert-butyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 61426899
N-methyl-4-(methylamino)-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426651
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005
3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine
CID 61426945
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 62558966
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62557063
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 62558100

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine (CID 61424069) is N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine is CNCCCCN(C)Cc1ccoc1C.
What is the InChIKey of N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine?
The InChIKey is VSDDMWGFRLEPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11-12(6-9-15-11)10-14(3)8-5-4-7-13-2/h6,9,13H,4-5,7-8,10H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine?
N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 61424069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).