2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide

C14H30N2S — CID 65260199

IUPAC2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide
SMILESCC(C)CN(CCCC(C)(C)C(N)=S)C(C)C
InChIInChI=1S/C14H30N2S/c1-11(2)10-16(12(3)4)9-7-8-14(5,6)13(15)17/h11-12H,7-10H2,1-6H3,(H2,15,17)
InChIKeySMZGILDHYHCDFR-UHFFFAOYSA-N
MW258.47 g/mol
LogP3.45
Rot. Bonds8

About 2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide

2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide (PubChem CID 65260199) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide
PubChem CID65260199
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide
SMILESCC(C)CN(CCCC(C)(C)C(N)=S)C(C)C
InChIInChI=1S/C14H30N2S/c1-11(2)10-16(12(3)4)9-7-8-14(5,6)13(15)17/h11-12H,7-10H2,1-6H3,(H2,15,17)
InChIKeySMZGILDHYHCDFR-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 65260345
4-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248852
2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide
CID 106712046
1-amino-2-methyl-6-[2-methylpropyl(propan-2-yl)amino]hexan-2-ol
CID 64819799
4-[butan-2-yl(butyl)amino]-2,2-dimethylbutanethioamide
CID 65249143
2-(ethylamino)-2-methyl-5-[2-methylpropyl(propan-2-yl)amino]pentan-1-ol
CID 64828003
4-[butan-2-yl(ethyl)amino]-2,2-dimethylbutanethioamide
CID 65246972
2-methyl-5-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64827398
5-[5-hydroxypentyl(methyl)amino]-2,2-dimethylpentanethioamide
CID 107199838
3-[propan-2-yl(4,4,4-trifluorobutyl)amino]propanethioamide
CID 115513943
N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 77063707
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide?
The IUPAC name of 2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide (CID 65260199) is 2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide.
What is the SMILES notation for 2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide?
The canonical SMILES for 2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide is CC(C)CN(CCCC(C)(C)C(N)=S)C(C)C.
What is the InChIKey of 2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide?
The InChIKey is SMZGILDHYHCDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-11(2)10-16(12(3)4)9-7-8-14(5,6)13(15)17/h11-12H,7-10H2,1-6H3,(H2,15,17).
What are the key properties of 2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide?
2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide has a molecular weight of 258.47 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide is sourced from PubChem (CID 65260199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).