1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine

C14H23ClN2S — CID 55247309

IUPAC1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)C(c1ccc(Cl)s1)N(C)CC1CCCC1
InChIInChI=1S/C14H23ClN2S/c1-10(16)14(12-7-8-13(15)18-12)17(2)9-11-5-3-4-6-11/h7-8,10-11,14H,3-6,9,16H2,1-2H3
InChIKeyZWXILJKMHWBQEU-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.91
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine

1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine (PubChem CID 55247309) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine
PubChem CID55247309
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)C(c1ccc(Cl)s1)N(C)CC1CCCC1
InChIInChI=1S/C14H23ClN2S/c1-10(16)14(12-7-8-13(15)18-12)17(2)9-11-5-3-4-6-11/h7-8,10-11,14H,3-6,9,16H2,1-2H3
InChIKeyZWXILJKMHWBQEU-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-1-N-(cyclohexylmethyl)-1-N-methylbutane-1,2-diamine
CID 63406517
1-(5-chlorothiophen-2-yl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 54983977
1-(5-chlorothiophen-2-yl)-1-N-(4-ethylcyclohexyl)-1-N-methylpropane-1,2-diamine
CID 63404164
4-[[[2-amino-1-(5-chlorothiophen-2-yl)propyl]-methylamino]methyl]oxan-4-ol
CID 114948480
1-(5-chlorothiophen-2-yl)-1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methylbutane-1,2-diamine
CID 79303566
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine
CID 55016538
1-(5-chlorothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81058258
1-(2-chlorophenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63727801
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
CID 61443836
1-N-methyl-1-N-(oxan-2-ylmethyl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55021814

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine (CID 55247309) is 1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine is CC(N)C(c1ccc(Cl)s1)N(C)CC1CCCC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is ZWXILJKMHWBQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-10(16)14(12-7-8-13(15)18-12)17(2)9-11-5-3-4-6-11/h7-8,10-11,14H,3-6,9,16H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine?
1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 286.87 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55247309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).