N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C17H30N2S — CID 106605605

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(C)N(CC(C)C)CC2CCCN2)s1
InChIInChI=1S/C17H30N2S/c1-5-16-8-9-17(20-16)14(4)19(11-13(2)3)12-15-7-6-10-18-15/h8-9,13-15,18H,5-7,10-12H2,1-4H3
InChIKeyRAOHUGLPNJYXIG-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.08
Rot. Bonds7

About N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106605605) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106605605
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(C)N(CC(C)C)CC2CCCN2)s1
InChIInChI=1S/C17H30N2S/c1-5-16-8-9-17(20-16)14(4)19(11-13(2)3)12-15-7-6-10-18-15/h8-9,13-15,18H,5-7,10-12H2,1-4H3
InChIKeyRAOHUGLPNJYXIG-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622235
5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106610975
N-[1-(4-chlorophenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605425
N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623202
N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604631
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 106605144
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
CID 104870302
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605484
N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605238
N-[(5-ethylthiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598928
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715260

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106605605) is N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCc1ccc(C(C)N(CC(C)C)CC2CCCN2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is RAOHUGLPNJYXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-16-8-9-17(20-16)14(4)19(11-13(2)3)12-15-7-6-10-18-15/h8-9,13-15,18H,5-7,10-12H2,1-4H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106605605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).