N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine

C17H30N2S — CID 79068315

IUPACN,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNC(c1ccc(C)s1)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H30N2S/c1-5-17(6-2,19-12-8-9-13-19)16(18-7-3)15-11-10-14(4)20-15/h10-11,16,18H,5-9,12-13H2,1-4H3
InChIKeyFCSABLXEYLAQIH-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.36
Rot. Bonds7

About N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine

N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79068315) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79068315
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNC(c1ccc(C)s1)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H30N2S/c1-5-17(6-2,19-12-8-9-13-19)16(18-7-3)15-11-10-14(4)20-15/h10-11,16,18H,5-9,12-13H2,1-4H3
InChIKeyFCSABLXEYLAQIH-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 79044961
[2-methyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpropyl]hydrazine
CID 105239553
N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 116758104
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79051539
2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79997745
2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 79052267
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056899
N-ethyl-2-methyl-1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-amine
CID 79045339
1-(3-bromothiophen-2-yl)-N,3-diethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79057408
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102833059

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine (CID 79068315) is N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine is CCNC(c1ccc(C)s1)C(CC)(CC)N1CCCC1.
What is the InChIKey of N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is FCSABLXEYLAQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-17(6-2,19-12-8-9-13-19)16(18-7-3)15-11-10-14(4)20-15/h10-11,16,18H,5-9,12-13H2,1-4H3.
What are the key properties of N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine?
N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79068315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).