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

C11H17ClN2S — CID 115244292

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNCC1(CNCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2S/c12-10-2-1-9(15-10)3-6-14-8-11(7-13)4-5-11/h1-2,14H,3-8,13H2
InChIKeySIQBIOFWBABSCZ-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.27
Rot. Bonds6

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

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine (PubChem CID 115244292) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine
PubChem CID115244292
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNCC1(CNCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2S/c12-10-2-1-9(15-10)3-6-14-8-11(7-13)4-5-11/h1-2,14H,3-8,13H2
InChIKeySIQBIOFWBABSCZ-UHFFFAOYSA-N
XLogP2.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 115435554
2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750264
3-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248141
N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507651
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
1-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cycloheptane-1-carboxamide
CID 106047919
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 106012052
1-(5-chlorothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246177
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243640
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438324
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724290

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine (CID 115244292) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine is NCC1(CNCCc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine?
The InChIKey is SIQBIOFWBABSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c12-10-2-1-9(15-10)3-6-14-8-11(7-13)4-5-11/h1-2,14H,3-8,13H2.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine has a molecular weight of 244.79 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 115244292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).