N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine

C12H19ClN2S — CID 115435554

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine
SMILESNCC1(CNCc2ccc(Cl)s2)CCCC1
InChIInChI=1S/C12H19ClN2S/c13-11-4-3-10(16-11)7-15-9-12(8-14)5-1-2-6-12/h3-4,15H,1-2,5-9,14H2
InChIKeyMVADEZACRNGDSK-UHFFFAOYSA-N
MW258.82 g/mol
LogP3.01
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine (PubChem CID 115435554) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine
PubChem CID115435554
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine
SMILESNCC1(CNCc2ccc(Cl)s2)CCCC1
InChIInChI=1S/C12H19ClN2S/c13-11-4-3-10(16-11)7-15-9-12(8-14)5-1-2-6-12/h3-4,15H,1-2,5-9,14H2
InChIKeyMVADEZACRNGDSK-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246177
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 115244292
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 106012052
2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750264
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724290
1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246509
N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507651
1-(5-chlorothiophen-2-yl)-N-[(1-phenylcyclopropyl)methyl]methanamine
CID 55684111
N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 115445033
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 115437904
N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765786
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
CID 63494041

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine (CID 115435554) is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine is NCC1(CNCc2ccc(Cl)s2)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine?
The InChIKey is MVADEZACRNGDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c13-11-4-3-10(16-11)7-15-9-12(8-14)5-1-2-6-12/h3-4,15H,1-2,5-9,14H2.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine?
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine has a molecular weight of 258.82 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 115435554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).