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

C15H22N2OS — CID 62557588

IUPACN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCc1occc1CN(C)CCNC(C)c1cccs1
InChIInChI=1S/C15H22N2OS/c1-12(15-5-4-10-19-15)16-7-8-17(3)11-14-6-9-18-13(14)2/h4-6,9-10,12,16H,7-8,11H2,1-3H3
InChIKeyVHVIRMMOTHLESA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.43
Rot. Bonds7

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

N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 62557588) 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-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID62557588
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCc1occc1CN(C)CCNC(C)c1cccs1
InChIInChI=1S/C15H22N2OS/c1-12(15-5-4-10-19-15)16-7-8-17(3)11-14-6-9-18-13(14)2/h4-6,9-10,12,16H,7-8,11H2,1-3H3
InChIKeyVHVIRMMOTHLESA-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N'-(furan-2-ylmethyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62560949
N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62573937
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287748
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574524
N'-methyl-N-(1-thiophen-2-ylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62561217
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone
CID 62037588
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62557063
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62556302
N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63705847
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 62558966
N'-cyclopentyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574004

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 62557588) is N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is Cc1occc1CN(C)CCNC(C)c1cccs1.
What is the InChIKey of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is VHVIRMMOTHLESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12(15-5-4-10-19-15)16-7-8-17(3)11-14-6-9-18-13(14)2/h4-6,9-10,12,16H,7-8,11H2,1-3H3.
What are the key properties of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 278.42 g/mol, XLogP of 3.43, 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-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62557588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).