N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine

C17H30N2S — CID 107557209

IUPACN-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine
SMILESCNCc1ccc(CN(CCC(C)C)C2CCCC2)s1
InChIInChI=1S/C17H30N2S/c1-14(2)10-11-19(15-6-4-5-7-15)13-17-9-8-16(20-17)12-18-3/h8-9,14-15,18H,4-7,10-13H2,1-3H3
InChIKeyAZSUCQLQCFTZLU-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.26
Rot. Bonds8

About N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine

N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine (PubChem CID 107557209) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine
PubChem CID107557209
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine
SMILESCNCc1ccc(CN(CCC(C)C)C2CCCC2)s1
InChIInChI=1S/C17H30N2S/c1-14(2)10-11-19(15-6-4-5-7-15)13-17-9-8-16(20-17)12-18-3/h8-9,14-15,18H,4-7,10-13H2,1-3H3
InChIKeyAZSUCQLQCFTZLU-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262
Methyl[1-(thiophen-2-yl)ethyl]amine
CID 458576
(5-((Dimethylamino)methyl)thiophen-2-yl)methanamine
CID 20098884
N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 961381
2-(4-Methylpiperidin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 4352910
(2-Methylpropyl)[(5-methylthiophen-2-yl)methyl]amine
CID 4716983
N,N-Dimethyl-N'-[(3-methyl-2-thienyl)methyl]-1,2-ethanediamine
CID 4720499
N,N-Dimethyl-N'-(thien-2-ylmethyl)ethane-1,2-diamine
CID 3154216
2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3261684
[(5-Methylthiophen-2-yl)methyl](propan-2-yl)amine
CID 16495108

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine?
The IUPAC name of N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine (CID 107557209) is N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine.
What is the SMILES notation for N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine?
The canonical SMILES for N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine is CNCc1ccc(CN(CCC(C)C)C2CCCC2)s1.
What is the InChIKey of N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine?
The InChIKey is AZSUCQLQCFTZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-14(2)10-11-19(15-6-4-5-7-15)13-17-9-8-16(20-17)12-18-3/h8-9,14-15,18H,4-7,10-13H2,1-3H3.
What are the key properties of N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine?
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine has a molecular weight of 294.51 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine is sourced from PubChem (CID 107557209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).