3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine

C11H17ClN2S — CID 79468727

IUPAC3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
SMILESCN(Cc1ccc(Cl)s1)C1CCC(N)C1
InChIInChI=1S/C11H17ClN2S/c1-14(9-3-2-8(13)6-9)7-10-4-5-11(12)15-10/h4-5,8-9H,2-3,6-7,13H2,1H3
InChIKeyFLNBGMGHXNUJRN-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.71
Rot. Bonds3

About 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine

3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine (PubChem CID 79468727) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
PubChem CID79468727
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
SMILESCN(Cc1ccc(Cl)s1)C1CCC(N)C1
InChIInChI=1S/C11H17ClN2S/c1-14(9-3-2-8(13)6-9)7-10-4-5-11(12)15-10/h4-5,8-9H,2-3,6-7,13H2,1H3
InChIKeyFLNBGMGHXNUJRN-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62616719
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 61438820
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
CID 61438774
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine
CID 112740228
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-amine
CID 62611523
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62694441
3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine
CID 66007810
N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 130734905
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
CID 62362340
2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042685

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine?
The IUPAC name of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine (CID 79468727) is 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine is CN(Cc1ccc(Cl)s1)C1CCC(N)C1.
What is the InChIKey of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine?
The InChIKey is FLNBGMGHXNUJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-14(9-3-2-8(13)6-9)7-10-4-5-11(12)15-10/h4-5,8-9H,2-3,6-7,13H2,1H3.
What are the key properties of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine?
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine has a molecular weight of 244.79 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine is sourced from PubChem (CID 79468727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).