2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

C17H30N2S — CID 79069595

IUPAC2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(c1csc(C)c1)C(C)(CC)N1CCCC1
InChIInChI=1S/C17H30N2S/c1-5-9-18-16(15-12-14(3)20-13-15)17(4,6-2)19-10-7-8-11-19/h12-13,16,18H,5-11H2,1-4H3
InChIKeyAQIPTLSQSYLOHB-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.36
Rot. Bonds7

About 2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79069595) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79069595
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(c1csc(C)c1)C(C)(CC)N1CCCC1
InChIInChI=1S/C17H30N2S/c1-5-9-18-16(15-12-14(3)20-13-15)17(4,6-2)19-10-7-8-11-19/h12-13,16,18H,5-11H2,1-4H3
InChIKeyAQIPTLSQSYLOHB-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

2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79068633
1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059844
2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine
CID 79068762
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991160
N-ethyl-2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-amine
CID 79060679
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056215
[1-(3,5-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241209
2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79052153
3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
CID 79069357
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol
CID 79044854
4-methyl-4-piperidin-1-yl-N-propylhex-1-en-3-amine
CID 79064782

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79069595) is 2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is CCCNC(c1csc(C)c1)C(C)(CC)N1CCCC1.
What is the InChIKey of 2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is AQIPTLSQSYLOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-9-18-16(15-12-14(3)20-13-15)17(4,6-2)19-10-7-8-11-19/h12-13,16,18H,5-11H2,1-4H3.
What are the key properties of 2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-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 2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79069595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).