6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide

C16H28N2OS — CID 79494026

IUPAC6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide
SMILESCC(Cc1cccs1)N(C)C(=O)CCC(C)(C)CCN
InChIInChI=1S/C16H28N2OS/c1-13(12-14-6-5-11-20-14)18(4)15(19)7-8-16(2,3)9-10-17/h5-6,11,13H,7-10,12,17H2,1-4H3
InChIKeyRKBDXWGJTFQTKP-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.29
Rot. Bonds8

About 6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide

6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide (PubChem CID 79494026) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide.

Molecular Properties

Compound Name6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide
PubChem CID79494026
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide
SMILESCC(Cc1cccs1)N(C)C(=O)CCC(C)(C)CCN
InChIInChI=1S/C16H28N2OS/c1-13(12-14-6-5-11-20-14)18(4)15(19)7-8-16(2,3)9-10-17/h5-6,11,13H,7-10,12,17H2,1-4H3
InChIKeyRKBDXWGJTFQTKP-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one
CID 116574838
6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide
CID 65290678
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
1-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 115435396
3,3-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 79488507
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 79494572
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 79494889

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide?
The IUPAC name of 6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide (CID 79494026) is 6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide.
What is the SMILES notation for 6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide?
The canonical SMILES for 6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide is CC(Cc1cccs1)N(C)C(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide?
The InChIKey is RKBDXWGJTFQTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-13(12-14-6-5-11-20-14)18(4)15(19)7-8-16(2,3)9-10-17/h5-6,11,13H,7-10,12,17H2,1-4H3.
What are the key properties of 6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide?
6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide has a molecular weight of 296.48 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide is sourced from PubChem (CID 79494026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).