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

C13H18N2OS — CID 115287748

IUPACN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1occc1CN(C)CC(N)c1cccs1
InChIInChI=1S/C13H18N2OS/c1-10-11(5-6-16-10)8-15(2)9-12(14)13-4-3-7-17-13/h3-7,12H,8-9,14H2,1-2H3
InChIKeySZDYNXPNPPVKNP-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.78
Rot. Bonds5

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

N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 115287748) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
PubChem CID115287748
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1occc1CN(C)CC(N)c1cccs1
InChIInChI=1S/C13H18N2OS/c1-10-11(5-6-16-10)8-15(2)9-12(14)13-4-3-7-17-13/h3-7,12H,8-9,14H2,1-2H3
InChIKeySZDYNXPNPPVKNP-UHFFFAOYSA-N
XLogP2.78
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287665
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557588
1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine
CID 61424459
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-thiophen-2-ylethanone
CID 62037588
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287796
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287870
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
CID 61371435
3,3,3-trifluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]propanethioamide
CID 103368587
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 61426758
1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 110903423
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine (CID 115287748) is N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine is Cc1occc1CN(C)CC(N)c1cccs1.
What is the InChIKey of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is SZDYNXPNPPVKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10-11(5-6-16-10)8-15(2)9-12(14)13-4-3-7-17-13/h3-7,12H,8-9,14H2,1-2H3.
What are the key properties of N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 250.37 g/mol, XLogP of 2.78, 5 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]-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 115287748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).