N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine

C11H17NS — CID 115697506

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine
SMILESCc1cc(CNC2(C)CC2)c(C)s1
InChIInChI=1S/C11H17NS/c1-8-6-10(9(2)13-8)7-12-11(3)4-5-11/h6,12H,4-5,7H2,1-3H3
InChIKeyDWRRFMDILYZSFK-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.01
Rot. Bonds3

About N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine

N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine (PubChem CID 115697506) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine
PubChem CID115697506
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine
SMILESCc1cc(CNC2(C)CC2)c(C)s1
InChIInChI=1S/C11H17NS/c1-8-6-10(9(2)13-8)7-12-11(3)4-5-11/h6,12H,4-5,7H2,1-3H3
InChIKeyDWRRFMDILYZSFK-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol
CID 115763026
[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol
CID 62521865
1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine
CID 78975145
N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine
CID 83007388
N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline
CID 54977763
N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563621
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54976733
1-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 61365192
3-methyl-4-[[(1-methylcyclopropyl)amino]methyl]benzonitrile
CID 114480812
N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine
CID 107587733
4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 115758089
N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765888

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine (CID 115697506) is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine is Cc1cc(CNC2(C)CC2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine?
The InChIKey is DWRRFMDILYZSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8-6-10(9(2)13-8)7-12-11(3)4-5-11/h6,12H,4-5,7H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 115697506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).