N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine

C11H18N2S — CID 80728454

IUPACN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine
SMILESCc1sc(CN)cc1CN(C)C1CC1
InChIInChI=1S/C11H18N2S/c1-8-9(5-11(6-12)14-8)7-13(2)10-3-4-10/h5,10H,3-4,6-7,12H2,1-2H3
InChIKeyQOMBOLCYFSBEQM-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.11
Rot. Bonds4

About N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine

N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine (PubChem CID 80728454) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine
PubChem CID80728454
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine
SMILESCc1sc(CN)cc1CN(C)C1CC1
InChIInChI=1S/C11H18N2S/c1-8-9(5-11(6-12)14-8)7-13(2)10-3-4-10/h5,10H,3-4,6-7,12H2,1-2H3
InChIKeyQOMBOLCYFSBEQM-UHFFFAOYSA-N
XLogP2.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine with MolForge

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Related Compounds

N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine
CID 80727310
N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine
CID 131201785
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 80728906
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine
CID 80727932
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N,4,4-trimethylcyclohexan-1-amine
CID 80719822
[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80728285
[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine
CID 80727351
N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 130734905
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine
CID 107555614
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 55069371
N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
CID 80728304
[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80727522

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine (CID 80728454) is N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine is Cc1sc(CN)cc1CN(C)C1CC1.
What is the InChIKey of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine?
The InChIKey is QOMBOLCYFSBEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-9(5-11(6-12)14-8)7-13(2)10-3-4-10/h5,10H,3-4,6-7,12H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine?
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine has a molecular weight of 210.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 80728454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).