2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine

C12H19ClN2S — CID 65480533

IUPAC2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine
SMILESCN(Cc1ccc(Cl)s1)CC1(CCN)CC1
InChIInChI=1S/C12H19ClN2S/c1-15(8-10-2-3-11(13)16-10)9-12(4-5-12)6-7-14/h2-3H,4-9,14H2,1H3
InChIKeyLTUKYNJFVCQGKL-UHFFFAOYSA-N
MW258.82 g/mol
LogP2.96
Rot. Bonds6

About 2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine

2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine (PubChem CID 65480533) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine
PubChem CID65480533
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine
SMILESCN(Cc1ccc(Cl)s1)CC1(CCN)CC1
InChIInChI=1S/C12H19ClN2S/c1-15(8-10-2-3-11(13)16-10)9-12(4-5-12)6-7-14/h2-3H,4-9,14H2,1H3
InChIKeyLTUKYNJFVCQGKL-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine with MolForge

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Related Compounds

N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63494590
1-(5-chlorothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62256779
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
CID 63494041
1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
CID 55165548
1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine
CID 104594891
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine
CID 79478506
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65481122
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide
CID 63705419
[1-[(5-chlorothiophen-2-yl)methyl]cyclopropyl]methanol
CID 66025210
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452737

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine (CID 65480533) is 2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine is CN(Cc1ccc(Cl)s1)CC1(CCN)CC1.
What is the InChIKey of 2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine?
The InChIKey is LTUKYNJFVCQGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-15(8-10-2-3-11(13)16-10)9-12(4-5-12)6-7-14/h2-3H,4-9,14H2,1H3.
What are the key properties of 2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine?
2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine has a molecular weight of 258.82 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65480533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).