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

C15H22N2OS — CID 62557063

IUPACN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CNCCN(C)Cc2ccoc2C)s1
InChIInChI=1S/C15H22N2OS/c1-12-4-5-15(19-12)10-16-7-8-17(3)11-14-6-9-18-13(14)2/h4-6,9,16H,7-8,10-11H2,1-3H3
InChIKeyOOSWCNMNIPKAQE-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.18
Rot. Bonds7

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

N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 62557063) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
PubChem CID62557063
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CNCCN(C)Cc2ccoc2C)s1
InChIInChI=1S/C15H22N2OS/c1-12-4-5-15(19-12)10-16-7-8-17(3)11-14-6-9-18-13(14)2/h4-6,9,16H,7-8,10-11H2,1-3H3
InChIKeyOOSWCNMNIPKAQE-UHFFFAOYSA-N
XLogP3.18
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62557238
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80727596
N',N'-diethyl-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 4720465
N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
CID 61424069
2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114001042
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557588
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine
CID 62412365
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 62558966
N-tert-butyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 61426899
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'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine (CID 62557063) is N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine is Cc1ccc(CNCCN(C)Cc2ccoc2C)s1.
What is the InChIKey of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is OOSWCNMNIPKAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-4-5-15(19-12)10-16-7-8-17(3)11-14-6-9-18-13(14)2/h4-6,9,16H,7-8,10-11H2,1-3H3.
What are the key properties of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 278.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62557063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).