2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide

C14H28N2S — CID 65495325

IUPAC2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCC(C)CN(CC(C)C)CC1(CC(N)=S)CC1
InChIInChI=1S/C14H28N2S/c1-11(2)8-16(9-12(3)4)10-14(5-6-14)7-13(15)17/h11-12H,5-10H2,1-4H3,(H2,15,17)
InChIKeyZUMXAHAYQVUORU-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.06
Rot. Bonds8

About 2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65495325) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID65495325
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCC(C)CN(CC(C)C)CC1(CC(N)=S)CC1
InChIInChI=1S/C14H28N2S/c1-11(2)8-16(9-12(3)4)10-14(5-6-14)7-13(15)17/h11-12H,5-10H2,1-4H3,(H2,15,17)
InChIKeyZUMXAHAYQVUORU-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.06
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-(diethylaminomethyl)cyclopropyl]ethanethioamide
CID 65498282
2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide
CID 79484038
2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide
CID 65495976
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 115453707
2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496597
2-[1-[[butan-2-yl(butyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498090
2-[1-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]cyclopropyl]ethanethioamide
CID 79381058
2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498524
[1-[[bis(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62270231
2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498299
2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide
CID 65496396
2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496818

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide (CID 65495325) is 2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide is CC(C)CN(CC(C)C)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is ZUMXAHAYQVUORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-11(2)8-16(9-12(3)4)10-14(5-6-14)7-13(15)17/h11-12H,5-10H2,1-4H3,(H2,15,17).
What are the key properties of 2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 256.46 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65495325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).