N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine

C17H27ClN2S — CID 134927136

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
SMILESClc1ccc(CN(CCN2CCCC2)C2CCCCC2)s1
InChIInChI=1S/C17H27ClN2S/c18-17-9-8-16(21-17)14-20(15-6-2-1-3-7-15)13-12-19-10-4-5-11-19/h8-9,15H,1-7,10-14H2
InChIKeyAZRVYFZVUCEZQA-UHFFFAOYSA-N
MW326.94 g/mol
LogP4.63
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine

N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine (PubChem CID 134927136) has the molecular formula C17H27ClN2S and a molecular weight of 326.94 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
PubChem CID134927136
Molecular FormulaC17H27ClN2S
Molecular Weight326.94 g/mol
Exact Mass326.16
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
SMILESClc1ccc(CN(CCN2CCCC2)C2CCCCC2)s1
InChIInChI=1S/C17H27ClN2S/c18-17-9-8-16(21-17)14-20(15-6-2-1-3-7-15)13-12-19-10-4-5-11-19/h8-9,15H,1-7,10-14H2
InChIKeyAZRVYFZVUCEZQA-UHFFFAOYSA-N
XLogP4.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.94
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine (CID 134927136) is N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine is Clc1ccc(CN(CCN2CCCC2)C2CCCCC2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine?
The InChIKey is AZRVYFZVUCEZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2S/c18-17-9-8-16(21-17)14-20(15-6-2-1-3-7-15)13-12-19-10-4-5-11-19/h8-9,15H,1-7,10-14H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine?
N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine has a molecular weight of 326.94 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine is sourced from PubChem (CID 134927136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).