N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C15H25ClN2S — CID 106604631

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CC1CCCN1)C(C)c1ccc(Cl)s1
InChIInChI=1S/C15H25ClN2S/c1-3-4-10-18(11-13-6-5-9-17-13)12(2)14-7-8-15(16)19-14/h7-8,12-13,17H,3-6,9-11H2,1-2H3
InChIKeyYMOGLFCCZFQTBN-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.32
Rot. Bonds7

About N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106604631) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106604631
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CC1CCCN1)C(C)c1ccc(Cl)s1
InChIInChI=1S/C15H25ClN2S/c1-3-4-10-18(11-13-6-5-9-17-13)12(2)14-7-8-15(16)19-14/h7-8,12-13,17H,3-6,9-11H2,1-2H3
InChIKeyYMOGLFCCZFQTBN-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623202
N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604775
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604748
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605605
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604864
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604977
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168
N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616774
N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603813
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106604631) is N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CCCCN(CC1CCCN1)C(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is YMOGLFCCZFQTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-3-4-10-18(11-13-6-5-9-17-13)12(2)14-7-8-15(16)19-14/h7-8,12-13,17H,3-6,9-11H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 300.90 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106604631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).