1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine

C11H17ClN2S — CID 116958541

IUPAC1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(NC)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2S/c1-13-7-11(5-6-11)10(14-2)8-3-4-9(12)15-8/h3-4,10,13-14H,5-7H2,1-2H3
InChIKeyVBRQKLFXXXBDGY-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.66
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine

1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine (PubChem CID 116958541) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
PubChem CID116958541
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(NC)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2S/c1-13-7-11(5-6-11)10(14-2)8-3-4-9(12)15-8/h3-4,10,13-14H,5-7H2,1-2H3
InChIKeyVBRQKLFXXXBDGY-UHFFFAOYSA-N
XLogP2.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-chlorothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958259
(5-chlorothiophen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943525
[3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959472
[(5-chlorothiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]hydrazine
CID 105328233
1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958521
N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-phenylmethanamine
CID 116958853
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine
CID 63822376
1-(5-chlorothiophen-2-yl)-1-(3,5-dimethyl-1-adamantyl)-N-methylmethanamine
CID 79999928
(5-chlorothiophen-2-yl)-(methylamino)methanethiol
CID 116954482
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
2-(5-chlorothiophen-2-yl)-2-fluoro-N-methylethanamine
CID 105425161
(5-bromothiophen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943526

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine (CID 116958541) is 1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine is CNCC1(C(NC)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The InChIKey is VBRQKLFXXXBDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-13-7-11(5-6-11)10(14-2)8-3-4-9(12)15-8/h3-4,10,13-14H,5-7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine has a molecular weight of 244.79 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116958541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).