2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine

C12H19ClN2S — CID 61438774

IUPAC2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
SMILESCN(Cc1ccc(Cl)s1)C1CCCC1CN
InChIInChI=1S/C12H19ClN2S/c1-15(8-10-5-6-12(13)16-10)11-4-2-3-9(11)7-14/h5-6,9,11H,2-4,7-8,14H2,1H3
InChIKeyACOXRYVZVKOKIO-UHFFFAOYSA-N
MW258.82 g/mol
LogP2.96
Rot. Bonds4

About 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine

2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine (PubChem CID 61438774) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
PubChem CID61438774
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
SMILESCN(Cc1ccc(Cl)s1)C1CCCC1CN
InChIInChI=1S/C12H19ClN2S/c1-15(8-10-5-6-12(13)16-10)11-4-2-3-9(11)7-14/h5-6,9,11H,2-4,7-8,14H2,1H3
InChIKeyACOXRYVZVKOKIO-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 61438820
2-(aminomethyl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
CID 102841769
[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine
CID 81010342
[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81009812
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62616719
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62694441
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
CID 79468727
2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042685
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylcyclopentan-1-amine
CID 62860935
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine
CID 112740228
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
CID 97033065
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 61438166

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine (CID 61438774) is 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine is CN(Cc1ccc(Cl)s1)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine?
The InChIKey is ACOXRYVZVKOKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-15(8-10-5-6-12(13)16-10)11-4-2-3-9(11)7-14/h5-6,9,11H,2-4,7-8,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine?
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine has a molecular weight of 258.82 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 61438774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).