2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide

C16H28N2OS — CID 107471377

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide
SMILESCC(C)C(NC(=O)C(CN)CC(C)(C)C)c1cccs1
InChIInChI=1S/C16H28N2OS/c1-11(2)14(13-7-6-8-20-13)18-15(19)12(10-17)9-16(3,4)5/h6-8,11-12,14H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyAIDSHOSQHMNEAW-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.57
Rot. Bonds6

About 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide (PubChem CID 107471377) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide
PubChem CID107471377
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide
SMILESCC(C)C(NC(=O)C(CN)CC(C)(C)C)c1cccs1
InChIInChI=1S/C16H28N2OS/c1-11(2)14(13-7-6-8-20-13)18-15(19)12(10-17)9-16(3,4)5/h6-8,11-12,14H,9-10,17H2,1-5H3,(H,18,19)
InChIKeyAIDSHOSQHMNEAW-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide
CID 107471836
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)-2-phenylpropanamide
CID 62487540
2-bromo-3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43699738
2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81407804
6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide
CID 65290946
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 112604514
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide (CID 107471377) is 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide is CC(C)C(NC(=O)C(CN)CC(C)(C)C)c1cccs1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide?
The InChIKey is AIDSHOSQHMNEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-11(2)14(13-7-6-8-20-13)18-15(19)12(10-17)9-16(3,4)5/h6-8,11-12,14H,9-10,17H2,1-5H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide has a molecular weight of 296.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide is sourced from PubChem (CID 107471377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).