N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine

C11H20N2O — CID 116949510

IUPACN,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
SMILESCNCCCC(NC)c1ccc(C)o1
InChIInChI=1S/C11H20N2O/c1-9-6-7-11(14-9)10(13-3)5-4-8-12-2/h6-7,10,12-13H,4-5,8H2,1-3H3
InChIKeyUWXGGMCUXAWZGW-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.85
Rot. Bonds6

About N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine

N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine (PubChem CID 116949510) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
PubChem CID116949510
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
SMILESCNCCCC(NC)c1ccc(C)o1
InChIInChI=1S/C11H20N2O/c1-9-6-7-11(14-9)10(13-3)5-4-8-12-2/h6-7,10,12-13H,4-5,8H2,1-3H3
InChIKeyUWXGGMCUXAWZGW-UHFFFAOYSA-N
XLogP1.85
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.85
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,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116948630
N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116933940
5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one
CID 116956238
N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116949515
1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine
CID 116949513
1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine
CID 105028730
2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115786752
N,N'-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116949458
1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine
CID 62346220
1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949463
1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 62421162
1-(3,4-dichlorophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949498

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine (CID 116949510) is N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine is CNCCCC(NC)c1ccc(C)o1.
What is the InChIKey of N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The InChIKey is UWXGGMCUXAWZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-6-7-11(14-9)10(13-3)5-4-8-12-2/h6-7,10,12-13H,4-5,8H2,1-3H3.
What are the key properties of N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine is sourced from PubChem (CID 116949510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).