2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide

C15H30N2S — CID 79484038

IUPAC2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCCC(CC)N(CC(C)C)CC1(CC(N)=S)CC1
InChIInChI=1S/C15H30N2S/c1-5-13(6-2)17(10-12(3)4)11-15(7-8-15)9-14(16)18/h12-13H,5-11H2,1-4H3,(H2,16,18)
InChIKeyVSTBJQNAFVZZRA-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.59
Rot. Bonds9

About 2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 79484038) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID79484038
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCCC(CC)N(CC(C)C)CC1(CC(N)=S)CC1
InChIInChI=1S/C15H30N2S/c1-5-13(6-2)17(10-12(3)4)11-15(7-8-15)9-14(16)18/h12-13H,5-11H2,1-4H3,(H2,16,18)
InChIKeyVSTBJQNAFVZZRA-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65495325
2-[1-[[butan-2-yl(butyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498090
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79483320
[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol
CID 79490750
2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498299
2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide
CID 65498282
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79489290
2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide
CID 65495976
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
2-[1-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]cyclopropyl]ethanethioamide
CID 79381058
2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide
CID 65496396
2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496597

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide (CID 79484038) is 2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide is CCC(CC)N(CC(C)C)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is VSTBJQNAFVZZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-5-13(6-2)17(10-12(3)4)11-15(7-8-15)9-14(16)18/h12-13H,5-11H2,1-4H3,(H2,16,18).
What are the key properties of 2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 270.49 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 79484038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).