N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine

C15H32N2S — CID 112664870

IUPACN-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCNCC1(CN(C)C(CC)CSC)CCCC1
InChIInChI=1S/C15H32N2S/c1-5-14(11-18-4)17(3)13-15(12-16-6-2)9-7-8-10-15/h14,16H,5-13H2,1-4H3
InChIKeyFZPMLZQWMUSURZ-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.23
Rot. Bonds9

About N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine

N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine (PubChem CID 112664870) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
PubChem CID112664870
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC NameN-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCNCC1(CN(C)C(CC)CSC)CCCC1
InChIInChI=1S/C15H32N2S/c1-5-14(11-18-4)17(3)13-15(12-16-6-2)9-7-8-10-15/h14,16H,5-13H2,1-4H3
InChIKeyFZPMLZQWMUSURZ-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylpentan-3-amine
CID 62256289
N-methyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987455
N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 115987473
N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665025
N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
CID 115987485
N-methyl-1-methylsulfanyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine
CID 115987456
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-2-amine
CID 55051780
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112660945
N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
CID 112664977
1-[[[1-(ethylaminomethyl)cyclopentyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417297
N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine
CID 112661069
N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63699135

Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine (CID 112664870) is N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine is CCNCC1(CN(C)C(CC)CSC)CCCC1.
What is the InChIKey of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The InChIKey is FZPMLZQWMUSURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-5-14(11-18-4)17(3)13-15(12-16-6-2)9-7-8-10-15/h14,16H,5-13H2,1-4H3.
What are the key properties of N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine has a molecular weight of 272.50 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 112664870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).